SCHEMBL4602297

SCHEMBL4602297

CC1CN(Cc2ccccc2)CC=C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CHRM2 P08172 7/20 0.44
CHRM4 P08173 7/20 0.44
CHRM5 P08912 7/20 0.44
CHRM1 P11229 7/20 0.44
CHRM3 P20309 7/20 0.44
SIGMAR1 Q99720 1/20 0.43
FUCA1 P04066 2/20 0.42
MC4R P32245 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7596933 0.90 RORC (0.44) ACHECHRM2CHRM3LMNA
SCHEMBL6043641 0.90 ACHE (0.42) ACHE
SCHEMBL7596934 0.90 RORC (0.44) ACHECHRM2CHRM3LMNA
SCHEMBL6043648 0.90 ACHE (0.42) ACHE
SCHEMBL7138824 0.85 ALDH1A1 (0.47) ACHECHRM2CHRM4CHRM5CHRM1
SCHEMBL14635919 0.80 MEN1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3624555 0.78 PRMT1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL10431124 0.78 CYP2D6 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6652157 0.77 CYP2D6 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6332780 0.76 DRD2 (0.38) ACHEFUCA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds ANDREWS MARK DAVID 2008-10-30 US disclosed
EP-1912968-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS Pfizer Limited (GB) 2008-04-23 EP disclosed
WO-2007015162-A1 PIPERIDINOYL-PYRROLIDINE AND PIPERIDINOYL-PIPERIDINE COMPOUNDS PFIZER LIMITED (GB) 2007-02-08 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-20080269233-A1 Piperidinoyl-Pyrrolidine and Piperidinoyl-Piperidine Compounds GPR4, GPR119, PRLHR ACHE 3594/4885CHRM2 629/4885CHRM4 227/4885

“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.