SCHEMBL4871225

SCHEMBL4871225

CC1(c2ccc(C(N)=O)cc2)CC1(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PARP10 Q53GL7 7/20 0.41
PARP4 Q9UKK3 2/20 0.41
PARP1 P09874 2/20 0.41
CA2 P00918 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
CA1 P00915 1/20 0.41
TSHR P16473 3/20 0.40
PARP15 Q460N3 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
NOS1 P29475 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1702560 0.75 PARP10 (0.45) KMT2APARP10PARP4PARP1CA2
SCHEMBL11138307 0.71 NPC1 (0.41) NPC1RAB9ATDP1L3MBTL1
SCHEMBL13351657 0.70 PARP10 (0.46) KMT2APARP10PARP4PARP1CA2
Terephthalamide SCHEMBL23774 0.69 PARP1 (0.71) KMT2ASMN1; SMN2PARP10PARP4PARP1
SCHEMBL1641588 0.69 RAB9A (0.45) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5297495 0.68 PARP10 (0.45) KMT2APARP10PARP4PARP1CA2
SCHEMBL21411229 0.68 HSD17B10 (0.47) KMT2ANPC1RAB9ACA2CA1
SCHEMBL14744167 0.68 PARP1 (0.44) KMT2APARP10PARP4PARP1CA2
Terephthalamide SCHEMBL197479 0.67 PARP1 (0.60) KMT2APARP10PARP4PARP1CA2
Terephthalamide SCHEMBL12613686 0.67 PARP1 (0.60) KMT2APARP10PARP4PARP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 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 (3 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-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 KMT2A 2331/4885SMN1; SMN2 987/4885NPC1 1062/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G KMT2A 1665/4885SMN1; SMN2 845/4885NPC1 1735/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 KMT2A 2575/4885SMN1; SMN2 1162/4885NPC1 1409/4885

“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.