SCHEMBL460336

SCHEMBL460336

C=CC(CCCCC)O[C]=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
SMPD1 P17405 3/20 0.32
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
FDPS P14324 4/20 0.31
TSHR P16473 2/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3029584 0.98 MAPT (0.36) OPRM1MAPTTP53ADH1BADH1C
SCHEMBL7233108 0.86
SCHEMBL3039520 0.79 SMPD1 (0.34) OPRM1MAPTADH1BADH1CADH1A
SCHEMBL3034862 0.79 SMPD1 (0.34) OPRM1MAPTADH1BADH1CADH1A
SCHEMBL19356850 0.79 TSHR (0.39) OPRM1MAPTADH1BADH1CADH1A
SCHEMBL892183 0.77 TSHR (0.37) OPRM1MAPTADH1BADH1CADH1A
SCHEMBL6717666 0.77
SCHEMBL9311248 0.75 TSHR (0.41) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL20377487 0.75 TSHR (0.36) OPRM1MAPTADH1BADH1CADH1A
SCHEMBL1378622 0.75 TSHR (0.41) OPRM1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US claimed
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US claimed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US claimed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP claimed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 US claimed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO claimed
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur TRANSMIT GESELLSCHAFT FUR TECHNOLOGIETRANSFER MBH (DE) 2005-10-27 US claimed
US-6903087-B2 For prevention and/or suppression of preterm labor, suppression of labor at term prior to caesarean delivery, and for the treatment of dysmenorrhea; useful in enhancing fertility rates WYETH (US) 2005-06-07 US claimed
EP-1503990-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR Transmit Gesellschaft für Technologietransfer mbH (DE) 2005-02-09 EP claimed
EP-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP claimed
WO-2003095429-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR TransMIT Gesellschaft für Technologietransfer mbH (DE) 2003-11-20 WO claimed
US-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH 2002-12-26 US claimed
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP claimed
US-4882311-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-11-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, PRLHR OPRM1 49/4885MAPT 2252/4885TP53 4728/4885
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 OPRM1 6/4885MAPT 4734/4885TP53 4670/4885
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 OPRM1 45/4885MAPT 1998/4885TP53 4812/4885
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur PRNP, APP, MAPT OPRM1 2693/4885MAPT 3/4885TP53 740/4885
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 OPRM1 18/4885MAPT 2687/4885TP53 4746/4885
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators OXTR, AVPR2, AVPR1B OPRM1 45/4885MAPT 2321/4885TP53 4715/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 OPRM1 16/4885MAPT 2978/4885TP53 4779/4885

“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.