SCHEMBL20128486

SCHEMBL20128486

Cc1cc(C)cc(C(Cl)(c2cc(C)cc(C)c2)[C@@H]2CCCN2Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
SPHK1 Q9NYA1 5/20 0.40
SPHK2 Q9NRA0 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SIGMAR1 Q99720 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
SCHEMBL20128478 0.86 CYP2D6 (0.45) TACR1SPHK1SPHK2CYP1A2CYP3A4
SCHEMBL20128495 0.86 HRH1 (0.44) TACR1SPHK1SPHK2ALDH1A1MAPT
SCHEMBL20128496 0.80 BCHE (0.42) TACR1SPHK1SPHK2CYP1A2CYP3A4
SCHEMBL20128487 0.79 SPHK1 (0.40) TACR1SPHK1SPHK2CYP3A4CYP2D6
SCHEMBL24926340 0.77 ACHE (0.45) SPHK1SPHK2CYP1A2CYP3A4CYP2D6
SCHEMBL12410196 0.77 ACHE (0.45) SPHK1SPHK2CYP1A2CYP3A4CYP2D6
SCHEMBL1303955 0.75 GBA1 (0.46) SPHK1SPHK2ALDH1A1
SCHEMBL6304543 0.75 GBA1 (0.46) SPHK1SPHK2ALDH1A1
SCHEMBL1303954 0.75 GBA1 (0.46) SPHK1SPHK2ALDH1A1
SCHEMBL17805425 0.74 TACR1 (0.46) TACR1SPHK1SPHK2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 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 (2 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-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX TACR1 730/4885SPHK1 746/4885SPHK2 1007/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX TACR1 730/4885SPHK1 746/4885SPHK2 1007/4885

“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.