SCHEMBL13995722

SCHEMBL13995722

CC(C)[C@H](C)CNCc1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ HTT P42858 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
SCHEMBL12102056 0.87 P2RX7 (0.48) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL13644154 0.83 P2RX7 (0.41) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL13995716 0.81 OPRK1 (0.49) KMT2AHSD17B10HTT
SCHEMBL15055515 0.80 KMT2A (0.51) P2RX7KMT2AHTT
SCHEMBL13995328 0.79 P2RX7 (0.43) P2RX7HTT
SCHEMBL13644157 0.78 CYP2D6 (0.44) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL31136802 0.78 CYP2D6 (0.44) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL13995910 0.77 CHRM2 (0.53) P2RX7ALDH1A1KMT2AHTT
SCHEMBL19954188 0.77 HTT (0.45) P2RX7HTT
SCHEMBL12312605 0.77 P2RX7 (0.44) P2RX7ALDH1A1KMT2A

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 P2RX7 359/4885ALDH1A1 3443/4885PLA2G1B 1570/4885

“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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