SCHEMBL1859627

SCHEMBL1859627

CC(C)(C#N)c1ccc2c(c1)CCC2N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.34
TRPV1 Q8NER1 4/20 0.33
SRD5A1 P18405 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
ACHE P22303 3/20 0.32
CSNK2A2 P19784 1/20 0.32
DHODH Q02127 1/20 0.32
PGR P06401 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PNMT P11086 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL1855926 0.82 TRPV1 (0.37) TRPV1SRD5A1ACHECYP11B1CYP11B2
SCHEMBL1866161 0.82 TRPV1 (0.37) TRPV1SRD5A1ACHECYP11B1CYP11B2
SCHEMBL1856329 0.82 TRPV1 (0.37) TRPV1SRD5A1ACHECYP11B1CYP11B2
SCHEMBL5690949 0.82 TRPV1 (0.37) TRPV1SRD5A1ACHECYP11B1CYP11B2
SCHEMBL24452647 0.76 PNMT (0.53) TRPV1SRD5A1CYP11B1CYP11B2PNMT
SCHEMBL1863996 0.76 PNMT (0.53) TRPV1SRD5A1CYP11B1CYP11B2PNMT
SCHEMBL15086540 0.76 PNMT (0.53) TRPV1SRD5A1CYP11B1CYP11B2PNMT
SCHEMBL29495985 0.76 PNMT (0.53) TRPV1SRD5A1CYP11B1CYP11B2PNMT
Hydrochloric Acid SCHEMBL3588397 0.74 PNMT (0.51) TRPV1SRD5A1CYP11B1CYP11B2PNMT
Hydrochloric Acid SCHEMBL16536351 0.74 PNMT (0.51) TRPV1SRD5A1CYP11B1CYP11B2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
CN-102617464-A fused compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor ABBOTT LAB 2012-08-01 CN disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP disclosed
CN-101445501-A Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2009-06-03 CN disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
CN-1835924-A Fused compounds that inhibit vanilloid receptor subtype 1(vr1) receptor ABBOTT LAB (US) 2006-09-20 CN disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 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 (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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 IDH1 4687/4885TRPV1 2/4885SRD5A1 487/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 IDH1 4660/4885TRPV1 2/4885SRD5A1 475/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 IDH1 4687/4885TRPV1 2/4885SRD5A1 487/4885

“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.