SCHEMBL257654

SCHEMBL257654

Cc1cc(Br)ccc1C1=NC(C)(C)CO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
IL2 P60568 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ATM Q13315 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP2D6 P10635 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
ABL1 P00519 1/20 0.33
BACE1 P56817 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
SCHEMBL7490435 0.84 KDM4E (0.47) KDM4EHTTLMNAMAPTIL2
SCHEMBL11085738 0.83 KDM4E (0.42) KDM4EHTTLMNAMAPTIL2
SCHEMBL5684165 0.83 HTT (0.45) KDM4EHTTLMNAMAPTIL2
SCHEMBL10895787 0.83 KDM4E (0.44) KDM4EHTTLMNAMAPTTAAR1
SCHEMBL7831700 0.81 KDM4E (0.45) KDM4EHTTLMNAMAPTIL2
SCHEMBL5549386 0.81 KDM4E (0.42) KDM4EHTTLMNAMAPTHRH3
SCHEMBL9054634 0.80 KDM4E (0.44) KDM4EHTTLMNAMAPTTAAR1
SCHEMBL8815409 0.80 KDM4E (0.41) KDM4EHTTLMNAMAPTTAAR1
SCHEMBL7842188 0.79 KDM4E (0.43) KDM4EHTTLMNAMAPTIL2
SCHEMBL7495712 0.79 KDM4E (0.43) KDM4EHTTLMNAMAPTIL2

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
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (2 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B KDM4E 4464/4885HTT 1457/4885LMNA 2507/4885
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 KDM4E 2413/4885HTT 3281/4885LMNA 1477/4885

“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.