SCHEMBL13995706

SCHEMBL13995706

Cc1ccc(C)c(CNC[C@@H](C)C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ S1PR1 P21453 3/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL13995705 0.86 KDM4E (0.50) NPC1RAB9AKDM4EALDH1A1NR3C1
SCHEMBL172350 0.86 TAAR1 (0.44) TAAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13995843 0.79 CHRM2 (0.53) TAAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13995728 0.79 CHRM2 (0.53) TAAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL22513141 0.79 CHRM2 (0.53) TAAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL10746076 0.76 ALDH1A1 (0.49) TAAR1NPC1RAB9AKDM4EALDH1A1
SCHEMBL172626 0.74 CHRM2 (0.50) NPC1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13995734 0.74 ALKBH5 (0.40) NPC1RAB9AKDM4EALDH1A1NR3C1
SCHEMBL11879864 0.73 CHRM2 (0.48) TAAR1NPC1RAB9AKDM4CKMT2A
SCHEMBL13995710 0.73 RAPGEF4 (0.32) —

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-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 — — US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 — — US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 — — US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 — — 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 (1 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-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR TAAR1 632/4885NPC1 1959/4885RAB9A 1093/4885

“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.

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