SCHEMBL6485607

SCHEMBL6485607

COc1cccc(-n2c(=O)c(Cc3ccccc3Cl)nn(CC(N)c3ccccc3)c2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 0.73
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASR P41180 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38

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
SCHEMBL6476363 0.92 GNRHR (0.80) GNRHRLMNAGAA
SCHEMBL6476663 0.89 GNRHR (0.85) GNRHRLMNAGAA
SCHEMBL6477211 0.88 GNRHR (0.88) GNRHR
SCHEMBL6491254 0.87 GNRHR (0.72) GNRHRLMNAGAA
SCHEMBL6477151 0.87 GNRHR (0.70) GNRHRLMNAGAASMN1; SMN2
SCHEMBL6477288 0.86 GNRHR (0.54) GNRHR
SCHEMBL6487798 0.85 GNRHR (0.53) GNRHRKDM4EMAPTTSHRSMN1; SMN2
SCHEMBL6476944 0.84 GNRHR (1.00) GNRHR
SCHEMBL6485569 0.84 GNRHR (0.64) GNRHR
SCHEMBL6486267 0.83 GNRHR (0.48) GNRHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 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 (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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GNRHR 1/4885LMNA 4173/4885GAA 1127/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR GNRHR 1/4885LMNA 3728/4885GAA 1431/4885

“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.