SCHEMBL4328191

SCHEMBL4328191

N[C@@H]1CCN(c2ccc(F)cc2Cl)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 15/20 0.47
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL28984925 0.82 AADAT (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL28984927 0.82 AADAT (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6362578 0.77 CYP3A4 (0.39) ROCK2
Hydrochloric Acid SCHEMBL6362517 0.75 CYP3A4 (0.38) ROCK2
SCHEMBL4329501 0.74 FPR2 (0.45) MEN1KMT2AROCK2
SCHEMBL14275589 0.74 FPR2 (0.45) MEN1KMT2AROCK2
SCHEMBL14635821 0.74 FPR2 (0.45) MEN1KMT2AROCK2
SCHEMBL18208519 0.74 P2RX7 (0.44) P2RX7
SCHEMBL18208520 0.74 P2RX7 (0.44) P2RX7
SCHEMBL8554615 0.73 SLC6A2 (0.47) MEN1GAAKMT2AROCK2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 — — US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 — — US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 — — US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 — — US disclosed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 — — EP disclosed
US-20060229317-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2006-10-12 — — US disclosed
US-7115610-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-03 — — US disclosed
US-20050197346-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-09-08 — — US disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 — — WO 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 (4 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-20060229317-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A P2RX7 1142/4885MEN1 2276/4885GAA 955/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A P2RX7 1142/4885MEN1 2276/4885GAA 955/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A P2RX7 1142/4885MEN1 2276/4885GAA 955/4885
US-20050197346-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A P2RX7 1142/4885MEN1 2276/4885GAA 955/4885

“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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