SCHEMBL13995969

SCHEMBL13995969

CSc1ccc(CN[C@H](C)CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ SLC6A4 P31645 12/20 0.57
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL9843937 0.81 SLC6A4 (0.56) SLC6A4KDM4EMEN1KMT2ACYP1A2
SCHEMBL13995981 0.79 ALDH1A1 (0.64) ALDH1A1SLC6A4KDM4EMEN1KMT2A
SCHEMBL13995867 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL21799771 0.78 ALDH1A1 (0.62) ALDH1A1SIGMAR1
SCHEMBL13995689 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL172595 0.78 ALDH1A1 (0.62) ALDH1A1SLC6A4KDM4EMEN1KMT2A
SCHEMBL13995814 0.78 ALDH1A1 (0.62) ALDH1A1SLC6A4KDM4EMEN1KMT2A
SCHEMBL13995946 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL13995974 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL13995594 0.77 SIGMAR1 (0.74) ALDH1A1CYP1A2CYP3A4SIGMAR1

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 6 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-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-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 ALDH1A1 3443/4885SLC6A4 418/4885KDM4E 1846/4885

“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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