SCHEMBL627064

SCHEMBL627064

OC(CC1(c2cccc(C(F)(F)F)c2)CCC1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
TRPV3 Q8NET8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PNMT P11086 1/20 0.39
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
OPRD1 P41143 1/20 0.38
CCR2 P41597 1/20 0.38
S1PR1 P21453 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL625411 0.87 SLC6A3 (0.44) SLC6A4SLC6A3SLC6A2TRPV3MAPT
SCHEMBL14893412 0.87 TRPV3 (0.41) SLC6A4SLC6A3SLC6A2TRPV3NPSR1
SCHEMBL625714 0.85 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2TRPV3POLB
SCHEMBL625906 0.84 NR1I2 (0.46) TRPV3
SCHEMBL624608 0.83 KDM4E (0.47) SLC6A4SLC6A3SLC6A2TRPV3OPRM1
SCHEMBL626127 0.82 TRPV3 (0.46) SLC6A4SLC6A3SLC6A2TRPV3OPRM1
SCHEMBL625314 0.80 TRPV3 (0.61) SLC6A4SLC6A3SLC6A2TRPV3NPSR1
SCHEMBL624588 0.78 TRPV3 (0.43) SLC6A4SLC6A3SLC6A2TRPV3KDM4E
SCHEMBL625340 0.78 TRPV3 (0.65) SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL626047 0.77 NR1I2 (0.56) SLC6A4SLC6A3SLC6A2TRPV3S1PR1

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-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN claimed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 US disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 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-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
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 SLC6A4 498/4885SLC6A3 747/4885SLC6A2 1776/4885

“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.