SCHEMBL18576830

SCHEMBL18576830

CC(C)(C)CC1CNc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2A P08913 1/20 0.32
IDO1 P14902 1/20 0.32
HTR5A P47898 1/20 0.31

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
SCHEMBL7422364 0.82 MTNR1A (0.59) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL7422361 0.82 MTNR1A (0.59) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL469010 0.79 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL30576519 0.79 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL16353450 0.79 MTNR1A (0.59) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL28138448 0.79 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL16353622 0.79 MTNR1A (0.59) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL2036744 0.79 MTNR1A (0.59) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8564553 0.79 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8564551 0.79 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968234-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-11-12 US disclosed
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 US disclosed
US-10660876-B2 Amino compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20180177761-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170056428-A1 Compounds for the Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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 (8 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 MTNR1A 2837/4885MTNR1B 2318/4885EPHX2 834/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 MTNR1A 2837/4885MTNR1B 2318/4885EPHX2 834/4885
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH MTNR1A 3918/4885MTNR1B 3085/4885EPHX2 814/4885
US-10968234-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 MTNR1A 3399/4885MTNR1B 3312/4885EPHX2 2186/4885
US-10660876-B2 Amino compounds for treatment of medical disorders CFD, CFH, F12 MTNR1A 1820/4885MTNR1B 1211/4885EPHX2 3156/4885
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 MTNR1A 3399/4885MTNR1B 3312/4885EPHX2 2186/4885
US-20180177761-A1 AMINO COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, CFH, F12 MTNR1A 1820/4885MTNR1B 1211/4885EPHX2 3156/4885
US-20170056428-A1 Compounds for the Treatment of Medical Disorders CFD, TFPI, CFH MTNR1A 2513/4885MTNR1B 1151/4885EPHX2 1814/4885

“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.