SCHEMBL3321804

SCHEMBL3321804

CC1(C)C[C@@H](N)c2ccc(Cl)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
TRPV1 Q8NER1 8/20 0.40
HTR2C P28335 3/20 0.38
MAP3K14 Q99558 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
KDM1A O60341 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL3321810 1.00 CNR1 (0.48) CNR1CNR2TRPV1HTR2CMAP3K14
SCHEMBL3409160 0.87 CNR1 (0.48) CNR1CNR2TRPV1HTR2CHTR2A
SCHEMBL6024993 0.87 CNR1 (0.48) CNR1CNR2TRPV1HTR2CHTR2A
SCHEMBL20554133 0.84 CNR1 (0.42) CNR1CNR2TRPV1
SCHEMBL30132623 0.84 CNR1 (0.42) CNR1CNR2TRPV1
SCHEMBL25660453 0.82 HTR2C (0.36) CNR1CNR2TRPV1HTR2CHTR2A
SCHEMBL3326358 0.82 TRPV1 (0.44) CNR1CNR2TRPV1HTR2CHTR2A
SCHEMBL15021657 0.82 TRPV1 (0.44) CNR1CNR2TRPV1HTR2CHTR2A
SCHEMBL15054211 0.82 TRPV1 (0.44) CNR1CNR2TRPV1HTR2CHTR2A
SCHEMBL3322394 0.82 TRPV1 (0.46) CNR1CNR2TRPV1HTR2CMAP3K14

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
CN-107405337-A Substituted chroman and application method 艾伯维公司 2017-11-28 CN disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 US disclosed
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
EP-1716141-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF Université de Liège (BE) 2006-11-02 EP disclosed
WO-2005075463-A1 BENZOPYRAN DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2005-08-18 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 (7 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CNR1 22/4885CNR2 18/4885TRPV1 1/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 CNR1 22/4885CNR2 33/4885TRPV1 1/4885
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CNR1 251/4885CNR2 567/4885TRPV1 1470/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CNR1 22/4885CNR2 18/4885TRPV1 1/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 CNR1 27/4885CNR2 36/4885TRPV1 1/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CNR1 251/4885CNR2 567/4885TRPV1 1470/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CNR1 251/4885CNR2 567/4885TRPV1 1470/4885

“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.