SCHEMBL625336

SCHEMBL625336

O=CC1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.50
SLC6A3 Q01959 19/20 0.50
SLC6A2 P23975 12/20 0.46
KCNH2 Q12809 2/20 0.41
CCR2 P41597 1/20 0.40

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
SCHEMBL15873672 0.96 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL15863260 0.96 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL3516295 0.95 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL28172547 0.84 SLC6A2 (0.49) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL28029020 0.83 SLC6A2 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL19772416 0.82 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL19767368 0.82 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL17452485 0.82 SLC6A3 (0.56) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL19772413 0.82 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL3522688 0.81 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2KCNH2

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
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US disclosed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP 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 (2 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 467/4885SLC6A3 553/4885SLC6A2 1157/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 511/4885SLC6A3 717/4885SLC6A2 1774/4885

“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.