SCHEMBL2777049

SCHEMBL2777049

Cc1ccc(N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
KMT2A Q03164 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
TP53 P04637 1/20 0.48
GRIN2B Q13224 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
ADRB1 P08588 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KDM2B Q8NHM5 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2777044 1.00 L3MBTL3 (0.56) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL15764103 1.00 L3MBTL3 (0.56) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL15764139 1.00 L3MBTL3 (0.56) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL18296369 0.98 L3MBTL3 (0.58) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL82007 0.95 L3MBTL3 (0.58) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL81591 0.91 L3MBTL3 (0.57) L3MBTL3L3MBTL1KMT2AGRIN2BMBTD1
SCHEMBL82890 0.88 L3MBTL3 (0.59) L3MBTL3L3MBTL1KMT2AGRIN2BMBTD1
SCHEMBL12082201 0.86 L3MBTL3 (0.79) L3MBTL3L3MBTL1HRH3MBTD1ADRB1
SCHEMBL81367 0.85 HTR6 (0.58) L3MBTL3L3MBTL1CYP3A4CYP2D6CYP2C19
SCHEMBL22940344 0.84 KMT2A (0.64) L3MBTL3L3MBTL1KMT2AGRIN2BADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
EP-3480186-B1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO LTD (KR) 2022-06-15 EP disclosed
EP-3459936-B1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-04-27 EP disclosed
EP-3480186-A1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Kemimedi Co. Ltd (KR) 2019-05-08 EP disclosed
EP-3459936-A1 NOVEL ARYL ETHANE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Kemimedi Co. Ltd (KR) 2019-03-27 EP disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9376424-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2016-06-28 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-8809347-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8741898-B2 Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-8492373-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-07-23 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-20130109666-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2013-05-02 US disclosed
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. 2009-07-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT L3MBTL3 1989/4885L3MBTL1 3725/4885CYP3A4 4138/4885
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 L3MBTL3 2110/4885L3MBTL1 2206/4885CYP3A4 1896/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN L3MBTL3 3429/4885L3MBTL1 2596/4885CYP3A4 4623/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 L3MBTL3 4272/4885L3MBTL1 2896/4885CYP3A4 2936/4885
US-20090170825-A1 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS GABBR1, GABBR2, ALAD L3MBTL3 4681/4885L3MBTL1 4537/4885CYP3A4 713/4885
US-20140323490-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 L3MBTL3 2154/4885L3MBTL1 2161/4885CYP3A4 3592/4885
US-20130109666-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN L3MBTL3 2570/4885L3MBTL1 3671/4885CYP3A4 4142/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL3 3628/4885L3MBTL1 2790/4885CYP3A4 4662/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL3 3628/4885L3MBTL1 2790/4885CYP3A4 4662/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.