SCHEMBL9976592

SCHEMBL9976592

CC(C)C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 6/20 0.54
CYP2C19 P33261 2/20 0.54
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TRPV6 Q9H1D0 1/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.49
CXCR3 P49682 1/20 0.48
HRH1 P35367 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.47
SLC5A7 Q9GZV3 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRM1 P35372 1/20 0.46
DRD4 P21917 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
SCHEMBL9976600 0.91 LMNA (0.53) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL13512585 0.83 KDM4E (0.61) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL19844839 0.83 LMNA (0.51) L3MBTL1KDM4ECYP2C19POLBCYP1A2
SCHEMBL13456363 0.83 L3MBTL1 (0.62) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL30484437 0.83 L3MBTL1 (0.62) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL13509774 0.82 KDM4E (0.57) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL13512464 0.81 KDM4E (0.59) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL20007069 0.81 IKZF2 (0.39) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL13995677 0.80 HRH3 (0.51) L3MBTL1SIGMAR1OPRM1
SCHEMBL20804356 0.80 CYP1A2 (0.71) L3MBTL1KDM4ECYP2C19CYP1A2KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-20210386740-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR EHLERS DANLOS SYNDROME AND ASSOCIATED DISORDERS THE JOHNS HOPKINS UNIVERSITY 2021-12-16 US disclosed
WO-2021162090-A1 METHOD FOR SUPPRESSING DIFFERENTIATION OF PLURIPOTENT STEM CELLS 株式会社カネカ 2021-08-19 WO disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 US disclosed
US-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 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 (5 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-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SPINT2, PEPD, DNPEP L3MBTL1 4084/4885KDM4E 486/4885CYP2C19 1012/4885
US-20210386740-A1 COMPOSITIONS AND METHODS FOR TREATING VASCULAR EHLERS DANLOS SYNDROME AND ASSOCIATED DISORDERS COL2A1, COL1A1, MMP1 L3MBTL1 4686/4885KDM4E 2988/4885CYP2C19 2401/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 L3MBTL1 4136/4885KDM4E 4487/4885CYP2C19 2855/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA L3MBTL1 3076/4885KDM4E 728/4885CYP2C19 930/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 L3MBTL1 4136/4885KDM4E 4487/4885CYP2C19 2855/4885

“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.