SCHEMBL3323273

SCHEMBL3323273

N[C@@H]1CC(CF)(CF)Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.39
KDM1A O60341 2/20 0.33
OPRD1 P41143 1/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAOB P27338 4/20 0.32
MAOA P21397 3/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3323282 1.00 TRPV1 (0.39) TRPV1KDM1AOPRD1KDM1BHTR2C
SCHEMBL15086539 0.85 TRPV1 (0.39) TRPV1KDM1AOPRD1KDM1BLMNA
SCHEMBL15086538 0.85 TRPV1 (0.39) TRPV1KDM1AOPRD1KDM1BLMNA
SCHEMBL20616572 0.83 TRPV1 (0.39) TRPV1KDM1AOPRD1MAOBMAOA
SCHEMBL15075066 0.83 TRPV1 (0.39) TRPV1KDM1AOPRD1MAOBMAOA
SCHEMBL3323840 0.80 TRPV1 (0.42) TRPV1OPRD1MAOBMAOA
SCHEMBL3323847 0.80 TRPV1 (0.42) TRPV1OPRD1MAOBMAOA
SCHEMBL3327440 0.80 CFTR (0.45) TRPV1KDM1AHTR2CHTR2B
SCHEMBL3321453 0.80 TRPV1 (0.42) TRPV1KDM1AKDM1BHTR2CHTR2B
SCHEMBL3327444 0.80 CFTR (0.45) TRPV1KDM1AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8796328-B2 TRPV1 antagonists ABBVIE INC. 2014-08-05 US disclosed
US-20130345255-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2013-12-26 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
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

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 TRPV1 1/4885KDM1A 3338/4885OPRD1 43/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885KDM1A 2848/4885OPRD1 52/4885
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 TRPV1 1470/4885KDM1A 3952/4885OPRD1 544/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885KDM1A 3414/4885OPRD1 43/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 TRPV1 1470/4885KDM1A 3952/4885OPRD1 544/4885
US-20130345255-A1 TRPV1 ANTAGONISTS TRPV1, NPY1R, OPRL1 TRPV1 1/4885KDM1A 2853/4885OPRD1 52/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 TRPV1 1470/4885KDM1A 3952/4885OPRD1 544/4885

“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.