SCHEMBL8773487

SCHEMBL8773487

CCCc1ccc2occ(O)c(=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A4 P31645 1/20 0.43
RAB9A P51151 2/20 0.40
ADORA2A P29274 2/20 0.39
IAPP P10997 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL8985638 0.87 MTNR1A (0.55) MTNR1ACNR1CNR2CYP2D6RAB9A
Hydrogen Sulfide SCHEMBL27855781 0.84 CA12 (0.44) HTR1ACYP2D6SLC6A4MAOAMAOB
SCHEMBL11880562 0.79 PTPN1 (0.58) MTNR1ACYP2D6MAOAMAOBALDH1A1
SCHEMBL30649150 0.76 ALDH1A1 (0.59) CYP2D6MAOAMAOBNPC1ALDH1A1
SCHEMBL8773392 0.76 ALDH1A1 (0.59) CYP2D6MAOAMAOBNPC1ALDH1A1
SCHEMBL8773399 0.73 MAOA (0.52) MTNR1AHTR1ACYP2D6SLC6A4MAOA
SCHEMBL11878491 0.71 PTPN1 (0.56) MTNR1ACYP2D6MAOAMAOBALDH1A1
SCHEMBL13126879 0.71 TP53 (0.52) MTNR1ARAB9AMAOBALDH1A1TP53
SCHEMBL12386447 0.71 MTNR1A (0.48) MTNR1ARAB9AMAOBNPC1ALDH1A1
SCHEMBL11727575 0.71 MAOA (0.56) HTR1ACYP2D6RAB9AMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B MTNR1A 151/4885CNR1 91/4885CNR2 139/4885

“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.