SCHEMBL863626

SCHEMBL863626

OC1(Cc2ccc(Cl)cc2F)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.53
SIGMAR1 Q99720 5/20 0.52
FPR2 P25090 1/20 0.48
PROKR1 Q8TCW9 1/20 0.48
EPHX2 P34913 1/20 0.48
OPRL1 P41146 3/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14014021 0.93 CCR3 (0.48) CCR3SIGMAR1FPR2PROKR1EPHX2
SCHEMBL10502242 0.91 CCR3 (0.54) CCR3SIGMAR1EPHX2OPRL1DRD2
Hydrochloric Acid SCHEMBL10502898 0.90 CCR3 (0.53) CCR3SIGMAR1EPHX2OPRL1DRD2
SCHEMBL376474 0.85 OPRL1 (0.54) CCR3SIGMAR1OPRL1POLBALDH1A1
Hydrochloric Acid SCHEMBL10502200 0.84 POLB (0.55) CCR3SIGMAR1OPRL1POLBALDH1A1
SCHEMBL4218172 0.84 CCR3 (0.49) CCR3SIGMAR1EPHX2OPRL1DRD2
SCHEMBL3859282 0.84 ALDH1A1 (0.56) CCR3SIGMAR1OPRL1DRD2DRD4
SCHEMBL4216674 0.81 ALDH1A1 (0.50) CCR3SIGMAR1OPRL1POLBALDH1A1
SCHEMBL863256 0.81 DPP4 (0.50) CCR3SIGMAR1OPRL1POLBALDH1A1
SCHEMBL31430326 0.80 PROKR1 (0.55) FPR2PROKR1EPHX2POLBALDH1A1

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-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed
EP-0004952-B1 SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES) AND DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-07 EP disclosed
EP-0004951-B1 N-(3-BENZOYLPROPYL)-SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES), DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND THEIR USE FOR MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed
EP-0004951-A1 N-(3-benzoylpropyl)-spiro-(dihydrobenzofuranpiperidines and -pyrrolidines), derivatives thereof, methods for their preparation and their use for medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
EP-0004952-A1 Spiro-(dihydrobenzofuranpiperidines and -pyrrolidines) and derivatives thereof, methods for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
US-4166120-A Analgesic and tranquilizing benzoylpropyl-spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US disclosed
US-4166119-A Analgesic and tranquilizing spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CCR3 1134/4885SIGMAR1 179/4885FPR2 1447/4885

“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.