SCHEMBL433273

SCHEMBL433273

Fc1cc(Cl)ccc1C1CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.59
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PROKR1 Q8TCW9 1/20 0.40
MAP3K14 Q99558 1/20 0.38

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
SCHEMBL434518 0.92 OPRL1 (0.56) OPRL1HTR2AHTR2CHTR2BKMT2A
SCHEMBL433558 0.92 OPRL1 (0.60) OPRL1HTR2AHTR2CHTR2BPROKR1
SCHEMBL25706702 0.91 OPRL1 (0.52) OPRL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL434242 0.90 OPRL1 (0.61) OPRL1HTR2AHTR2CHTR2BPROKR1
SCHEMBL28712995 0.88 OPRL1 (0.54) OPRL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL29932045 0.87 SLC6A2 (0.51) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL3385011 0.87 SLC6A2 (0.51) OPRL1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL28706093 0.86 OPRL1 (0.49) OPRL1HTR2AHTR2CHTR2BTAAR1
Hydrochloric Acid SCHEMBL4890844 0.85 SLC6A2 (0.50) OPRL1HTR2AHTR2CHTR2B
SCHEMBL17543926 0.85 OPRL1 (0.48) OPRL1HTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 US disclosed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 OPRL1 61/4885HTR2A 209/4885HTR2C 191/4885

“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.