SCHEMBL5255803

SCHEMBL5255803

CCN(CC)CCC([O])=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.39
TERT O14746 7/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 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
SCHEMBL27854645 0.80 PAOX (0.41) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL2178380 0.78 PAOX (0.53) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL105467 0.78 KDM5A (0.48) PAOXTSHRKMT2AMEN1LMNA
SCHEMBL3929947 0.76 PAOX (0.38) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL177594 0.76 NPSR1 (0.39) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL8204357 0.76 KDM5A (0.47) PAOXTSHRKMT2AMEN1LMNA
SCHEMBL12086307 0.76 TDP1 (0.45) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL21422281 0.76 PAOX (0.38) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL4459209 0.76 TSHR (0.50) PAOXTERTAPOBEC3AAPOBEC3GTSHR
SCHEMBL11587066 0.76 KDM5A (0.47) PAOXTSHRKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 CN 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
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN 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-0735047-B1 STEROL EPOXIDES FOR CANCER TREATMENT TAISHO PHARMACEUTICAL CO LTD (JP) 1998-11-11 EP disclosed
US-5712263-A Steroid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1998-01-27 US disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
EP-0735047-A1 STEROID DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-10-02 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 (1 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 PAOX 2867/4885TERT 2734/4885APOBEC3A 3216/4885

“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.