SCHEMBL5258381

SCHEMBL5258381

CC(C)OCCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HIF1A Q16665 1/20 0.41
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL25338044 0.98 TSHR (0.46) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL10657097 0.98 TSHR (0.41) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL4915037 0.98 TSHR (0.46) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL13245112 0.93
SCHEMBL25223615 0.91 HIF1A (0.41) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL3304850 0.82
SCHEMBL4609242 0.79 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18215215 0.79 TSHR (0.46) TSHRHIF1AFAAHTRPV1ALDH1A1
SCHEMBL28798179 0.78 ALDH1A1 (0.44) ALDH1A1CNR1CNR2
SCHEMBL14670792 0.77 LMNA (0.46) TSHRHIF1AFAAHTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 TSHR 180/4885HIF1A 398/4885FAAH 111/4885

“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.