SCHEMBL192606

SCHEMBL192606

CC1(C)CCc2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.61
HTR2C P28335 3/20 0.61
KDM1A O60341 7/20 0.53
SRD5A1 P18405 8/20 0.43
SRD5A2 P31213 3/20 0.40
HTR2B P41595 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL31106553 0.88 HTR2A (0.57) HTR2AHTR2CKDM1ASRD5A1HTR2B
SCHEMBL24055012 0.88 HTR2A (0.57) HTR2AHTR2CKDM1ASRD5A1HTR2B
SCHEMBL13799465 0.86 SRD5A1 (0.49) HTR2AHTR2CKDM1ASRD5A1SRD5A2
SCHEMBL3169358 0.78 HTR2A (0.46) HTR2AHTR2C
SCHEMBL19764439 0.77 KDM1A (0.70) HTR2AHTR2CKDM1ASRD5A1HTR2B
SCHEMBL22589962 0.77 ESR1 (0.35) HTR2AHTR2CKDM1A
SCHEMBL30695369 0.77 CYP3A4 (0.41) HTR2AHTR2CKDM1ASIGMAR1
SCHEMBL9770689 0.77 CYP3A4 (0.41) HTR2AHTR2CKDM1ASIGMAR1
SCHEMBL29302321 0.77 KDM1A (0.55) HTR2AHTR2CKDM1ASRD5A1HTR2B
SCHEMBL24055009 0.76 HTR2A (0.41) HTR2AHTR2CKDM1ASRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546256-B1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
EP-2540726-B1 Intermediates for the synthesis of E1 activity activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
CN-110003216-A E1 activating enzyme inhibitors 千禧药品公司 2019-07-12 CN disclosed
CN-106008512-B E1 activating enzyme inhibitors 千禧药品公司 2019-03-12 CN disclosed
EP-2178880-B1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARM INC (US) 2017-10-04 EP disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
CN-106008512-A INHIBITORS OF E1 ACTIVATING ENZYMES 千禧药品公司 2016-10-12 CN disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
CN-101516850-A Heteroaryl compounds useful as inhibitors of E1 activating enzyme MILLENNIUM PHARM INC (US) 2009-08-26 CN disclosed
EP-2049491-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-22 EP disclosed
CN-101379061-A E1 activating enzyme inhibitor MILLENNIUM PHARM INC (US) 2009-03-04 CN disclosed
EP-1989206-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 US disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (5 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-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HTR2A 4708/4885HTR2C 4747/4885KDM1A 513/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885KDM1A 961/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 HTR2A 4708/4885HTR2C 4747/4885KDM1A 513/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885KDM1A 961/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HTR2A 4708/4885HTR2C 4747/4885KDM1A 513/4885

“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.