SCHEMBL1265663

SCHEMBL1265663

N[C@@H]1CCOc2ccc(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
KDM1B Q8NB78 1/20 0.41
ADRA2A P08913 1/20 0.40
FABP6 P51161 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
SYK P43405 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALK Q9UM73 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30563625 1.00 KDM1A (0.41) KDM1AKDM1BADRA2AFABP6TRPV1
SCHEMBL26962578 1.00 KDM1A (0.41) KDM1AKDM1BADRA2AFABP6TRPV1
SCHEMBL1239304 1.00 KDM1A (0.41) KDM1AKDM1BADRA2AFABP6TRPV1
Hydrochloric Acid SCHEMBL26962544 0.98 ADRA2A (0.40) KDM1AKDM1BADRA2AFABP6TRPV1
Hydrochloric Acid SCHEMBL1065751 0.98 ADRA2A (0.40) KDM1AKDM1BADRA2AFABP6TRPV1
Hydrochloric Acid SCHEMBL1065753 0.98 ADRA2A (0.40) KDM1AKDM1BADRA2AFABP6TRPV1
Hydrochloric Acid SCHEMBL30452970 0.98 ADRA2A (0.40) KDM1AKDM1BADRA2AFABP6TRPV1
Hydrochloric Acid SCHEMBL30563631 0.98 ADRA2A (0.40) KDM1AKDM1BADRA2AFABP6TRPV1
SCHEMBL1163088 0.86 ADRA2A (0.50) KDM1AKDM1BADRA2AFABP6TRPV1
SCHEMBL1239165 0.86 ADRA2A (0.50) KDM1AKDM1BADRA2AFABP6TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof DUGGAN MARK E (US) 2013-10-31 US disclosed
US-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof DUGGAN MARK E (US) 2013-10-31 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-20090069289-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-03-12 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080214580-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-09-04 US disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
WO-2008043031-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 WO disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 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 (9 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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 KDM1A 1077/4885KDM1B 2049/4885ADRA2A 610/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 KDM1A 2848/4885KDM1B 3644/4885ADRA2A 94/4885
US-20090069289-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION P2RY6, P2RY1, P2RX6 KDM1A 997/4885KDM1B 1573/4885ADRA2A 603/4885
US-20080214580-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION P2RY6, P2RY1, P2RX6 KDM1A 997/4885KDM1B 1573/4885ADRA2A 603/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S KDM1A 1523/4885KDM1B 1702/4885ADRA2A 880/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 KDM1A 1830/4885KDM1B 2476/4885ADRA2A 754/4885
US-20130345255-A1 TRPV1 ANTAGONISTS TRPV1, NPY1R, OPRL1 KDM1A 2853/4885KDM1B 2872/4885ADRA2A 82/4885
US-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof PRMT1, PRMT5, AGTR2 KDM1A 369/4885KDM1B 177/4885ADRA2A 303/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 KDM1A 1830/4885KDM1B 2476/4885ADRA2A 754/4885

“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.