SCHEMBL2861648

SCHEMBL2861648

Cc1cccnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.68
EPHX2 P34913 1/20 0.55
CYP2A6 P11509 1/20 0.51
TOP1 P11387 1/20 0.51
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10094689 0.81 TRPV1 (0.58) TRPV1EPHX2CYP2A6KDM4EALDH1A1
SCHEMBL29979080 0.81 TRPV1 (0.58) TRPV1EPHX2CYP2A6KDM4EALDH1A1
SCHEMBL19248530 0.80 TRPV1 (0.49) TRPV1EPHX2CYP2A6TOP1
SCHEMBL30211243 0.79 CYP2A6 (0.56) TRPV1CYP2A6KDM4EALDH1A1KMT2A
SCHEMBL1259263 0.79 CYP2A6 (0.56) TRPV1CYP2A6KDM4EALDH1A1KMT2A
SCHEMBL19248533 0.79 TRPV1 (0.63) TRPV1EPHX2CYP2A6KIF11
SCHEMBL10094680 0.79 CYP2A6 (0.66) TRPV1CYP2A6
SCHEMBL2477267 0.79 TRPV1 (0.62) TRPV1CYP2A6KDM4EALDH1A1KMT2A
SCHEMBL28419623 0.79 TRPV1 (0.50) TRPV1TOP1KIF11KDM4EALDH1A1
SCHEMBL10094495 0.78 TRPV1 (0.47) TRPV1TOP1KIF11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 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 (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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP TRPV1 1434/4885EPHX2 3107/4885CYP2A6 2812/4885

“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.