SCHEMBL10078849

SCHEMBL10078849

CN1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
NOTUM Q6P988 1/20 0.49
SLC6A4 P31645 1/20 0.47
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
HRH1 P35367 1/20 0.42
HTR6 P50406 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
DPP7 Q9UHL4 2/20 0.41

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
SCHEMBL12968836 0.95 MAOA (0.53) MAOAMAOBNOTUMSLC6A4DRD1
SCHEMBL2056192 0.87 DPP7 (0.47) NOTUMDPP7
SCHEMBL10311028 0.84 MAOA (0.52) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL23605618 0.82 DRD1 (0.48) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL19708524 0.81 NOTUM (0.46) NOTUMDPP7
SCHEMBL6369620 0.80 HRH3 (0.47) NOTUMDRD1DRD2DRD3DPP7
SCHEMBL10057662 0.80 TMEM97 (0.47) NOTUMDRD3DPP7
SCHEMBL13225676 0.79 MAOA (0.55) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL24451270 0.78 MAOB (0.46) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL18711259 0.78 NOTUM (0.59) NOTUMDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 WO disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2019-11-05 US disclosed
WO-2019136368-A2 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-07-11 WO disclosed
WO-2019060820-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. (US) 2019-03-28 WO disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. 2017-12-14 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 WO disclosed
US-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 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 (10 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-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 MAOA 3451/4885MAOB 3036/4885NOTUM 4562/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 MAOA 3451/4885MAOB 3036/4885NOTUM 4562/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H MAOA 3037/4885MAOB 2874/4885NOTUM 2863/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 MAOA 2327/4885MAOB 1347/4885NOTUM 1723/4885
US-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES KCNQ2, KCNQ1, KCNQ3 MAOA 4109/4885MAOB 3644/4885NOTUM 3489/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 MAOA 4338/4885MAOB 3294/4885NOTUM 3024/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 MAOA 2557/4885MAOB 2012/4885NOTUM 1686/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 MAOA 3603/4885MAOB 3297/4885NOTUM 4772/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 MAOA 3807/4885MAOB 2901/4885NOTUM 4674/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A MAOA 138/4885MAOB 141/4885NOTUM 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.