SCHEMBL17984993

SCHEMBL17984993

CCN(CC)CCCCNC(=O)CNCc1cc(C=NC2CC2)ccn1.O=C(CNCc1cc(C=NC2CC2)ccn1)N1CCC[C@@H]1CN1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.34
▸ HRH3 Q9Y5N1 12/20 0.33
▸ FAP Q12884 1/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL16305497 0.88 HRH3 (0.40) HRH3OPRK1NPC1
SCHEMBL15995518 0.88 HRH3 (0.40) HRH3OPRK1NPC1
SCHEMBL16293500 0.88 KDM5B (0.36) TERTSMN1; SMN2RXFP1
SCHEMBL16006940 0.88 KDM5B (0.36) TERTSMN1; SMN2RXFP1
SCHEMBL16006922 0.78 HRH3 (0.43) HRH3OPRK1NPC1
SCHEMBL15994366 0.75 KDM5B (0.41) —
SCHEMBL16305471 0.74 MEN1 (0.41) HRH3KCNH2SMN1; SMN2
SCHEMBL15995289 0.74 MEN1 (0.41) HRH3KCNH2SMN1; SMN2
SCHEMBL16293826 0.73 APP (0.35) SMN1; SMN2RXFP1
SCHEMBL17365406 0.73 KDM4E (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US claimed

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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A TERT 1180/4885HRH3 269/4885FAP 1885/4885

“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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