SCHEMBL1197489

SCHEMBL1197489

COC(=O)C(N)Cc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
NR4A2 P43354 1/20 0.53
HTR2A P28223 4/20 0.53
KMT2A Q03164 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2C P28335 3/20 0.53
HTR2B P41595 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
MTOR P42345 1/20 0.53

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
SCHEMBL27659895 1.00 MTNR1A (0.54) MTNR1AMTNR1BNR4A2HTR2AKMT2A
SCHEMBL14066849 1.00 MTNR1A (0.54) MTNR1AMTNR1BNR4A2HTR2AKMT2A
Hydrochloric Acid SCHEMBL28173761 0.99 MTNR1A (0.53) MTNR1AMTNR1BNR4A2HTR2AKMT2A
Hydrochloric Acid SCHEMBL28558220 0.99 MTNR1A (0.53) MTNR1AMTNR1BNR4A2HTR2AKMT2A
SCHEMBL14066853 0.90 TACR1 (0.50) NR4A2HTR2AKMT2AHTR1AHTR2C
SCHEMBL5263791 0.89 SCN9A (0.64) MTNR1AMTNR1BNR4A2HTR2AKMT2A
SCHEMBL3853949 0.89 SCN9A (0.64) MTNR1AMTNR1BNR4A2HTR2AKMT2A
Hydrochloric Acid SCHEMBL27148566 0.89 TACR1 (0.49) NR4A2HTR2AKMT2AHTR1AHTR2C
SCHEMBL14116366 0.89 SCN9A (0.64) MTNR1AMTNR1BNR4A2HTR2AKMT2A
Hydrochloric Acid SCHEMBL27034726 0.89 TACR1 (0.49) NR4A2HTR2AKMT2AHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) 4SC AG (DE) 2011-02-03 US disclosed
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 EP disclosed
CN-1960725-A Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS INC (US) 2007-05-09 CN disclosed
CN-1186344-C Amino acid compounds and their use as NEP, ACE and ECE inhibitors INST NAT RECH MEDICALE INSERM (FR) 2005-01-26 CN disclosed
US-6716852-B2 FOR THERAPY OF ARTERIAL HYPERTENSION AND CARDIOVASCULAR DISEASES LES LABORATORIES SERVIER (FR) 2004-04-06 US disclosed
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors LES LABORATOIRES SERVIER (FR) 2003-03-20 US disclosed
CN-1400974-A Amino acid derivatives and use thereof as NEP, ACE and ECE inhibitors INST NAT RECH MEDICALE INSERM (FR) 2003-03-05 CN 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 (2 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-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) KIF5A, KIF5C, KIF5B MTNR1A 3754/4885MTNR1B 4032/4885NR4A2 3443/4885
US-20030055086-A1 Amino acid derivatives and use thereof as nep, ace and ece inhibitors MME, ACE, ECE1 MTNR1A 333/4885MTNR1B 273/4885NR4A2 1672/4885

“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.