SCHEMBL18544679

SCHEMBL18544679

C=C(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
AGTR2 P50052 2/20 0.41
MMP9 P14780 1/20 0.40
BACE1 P56817 2/20 0.39
BDKRB2 P30411 1/20 0.38
NAAA Q02083 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
BCHE P06276 1/20 0.36
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL9969601 0.86 AGTR2 (0.46) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL14597374 0.86 AGTR2 (0.46) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL8290842 0.86 AGTR2 (0.46) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL23942920 0.84 AGTR2 (0.53) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL26207194 0.84 AGTR2 (0.53) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL4327421 0.83 AGTR2 (0.46) CTSLCTSBCTSKAGTR2MMP9
SCHEMBL24251891 0.81 MMP9 (0.45) CTSLCTSBCTSKCARM1PRMT6
SCHEMBL27652358 0.80 HTR2C (0.46) AGTR2BDKRB2
SCHEMBL13613077 0.80 HTR2C (0.46) AGTR2BDKRB2
SCHEMBL14627065 0.78 CTSL (0.50) CTSLCTSBCTSKCARM1PRMT6

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-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 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-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CTSL 1658/4885CTSB 1707/4885CTSK 1718/4885

“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.