SCHEMBL13995705

SCHEMBL13995705

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCR2 P41597 9/20 0.40
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ P2RX7 Q99572 2/20 0.35

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
SCHEMBL13995706 0.86 TAAR1 (0.42) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL15476680 0.81 KDM4E (0.53) KDM4EALDH1A1MEN1USP2GAA
SCHEMBL13995843 0.79 CHRM2 (0.53) KDM4EALDH1A1MEN1GAAKMT2A
SCHEMBL22513141 0.79 CHRM2 (0.53) KDM4EALDH1A1MEN1GAAKMT2A
SCHEMBL13995728 0.79 CHRM2 (0.53) KDM4EALDH1A1MEN1GAAKMT2A
SCHEMBL13995710 0.77 RAPGEF4 (0.32) —
SCHEMBL12961020 0.76 KDM4E (0.49) KDM4EALDH1A1MEN1USP2GAA
SCHEMBL172626 0.74 CHRM2 (0.50) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL12652129 0.74 KDM4E (0.47) KDM4EALDH1A1MEN1USP2GAA
SCHEMBL13195646 0.74 ALDH1A1 (0.65) KDM4EALDH1A1MEN1USP2GAA

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 3 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

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 KDM4E 1846/4885ALDH1A1 3443/4885MEN1 510/4885

“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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