SCHEMBL6031771

SCHEMBL6031771

COCc1cnc2n1CCc1ccccc1C21CCN(/C(=C\C(=O)O)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
CALCRL Q16602 1/20 0.33
OPRD1 P41143 4/20 0.33
OPRK1 P41145 1/20 0.33
RBP4 P02753 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL6031358 0.83 HRH1 (0.50) HRH1OPRD1OPRK1RBP4HTR2A
Fumaric Acid SCHEMBL6439581 0.82 HRH1 (0.59) HRH1CALCRLHTR2AHTR2C
SCHEMBL6030123 0.78 HRH1 (0.60) HRH1CALCRLHTR2AHTR2CSIGMAR1
SCHEMBL6031570 0.74 HRH1 (0.50) HRH1OPRD1OPRK1
SCHEMBL6029703 0.69 HRH1 (0.77) HRH1OPRD1OPRK1RBP4HTR2A
SCHEMBL6031770 0.69 HRH1 (0.47) HRH1OPRD1OPRK1HTR2A
SCHEMBL6031742 0.68 HRH1 (0.56) HRH1OPRD1OPRK1
SCHEMBL6030027 0.68 HRH1 (0.56) HRH1OPRD1OPRK1
SCHEMBL6031874 0.68 SIGMAR1 (0.49) HRH1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6030115 0.67 HRH1 (0.51) HRH1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US claimed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US claimed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 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 (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-20050026901-A1 Antiallergens; vision disorders UACA, LTB4R, HLA-B HRH1 35/4885CALCRL 2041/4885OPRD1 1139/4885

“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.