SCHEMBL19600977

SCHEMBL19600977

Cc1ccc2c(c1)CCC(CN)=C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
SRD5A1 P18405 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 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
SCHEMBL6955673 0.81 MCHR1 (0.34) MCHR1
SCHEMBL27561109 0.81 MCHR1 (0.37) MCHR1SRD5A1HTR1ADRD2HTR2A
SCHEMBL19600978 0.79 DRD2 (0.38) MCHR1DRD2HTR2ADRD3
SCHEMBL19600975 0.78 CYP11B1 (0.52) MCHR1DRD2DRD3ALDH1A1
SCHEMBL6953646 0.77 MCHR1 (0.45) MCHR1ALDH1A1
SCHEMBL13239080 0.75 SRD5A1 (0.37) SRD5A1ALDH1A1PARP10PARP11
SCHEMBL11911369 0.73 MCHR1 (0.42) MCHR1ALDH1A1
SCHEMBL8099968 0.73 MCHR1 (0.42) MCHR1ALDH1A1
SCHEMBL6080770 0.73 HTR2A (0.53) HTR1ADRD2HTR2AHTR2CHTR7
SCHEMBL11811073 0.71 MCHR1 (0.41) MCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327439-A1 DIHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-16 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-20170327439-A1 DIHYDRONAPHTHALENE DERIVATIVE S1PR5, LPAR5, S1PR1 MCHR1 532/4885SRD5A1 536/4885HTR1A 73/4885

“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.