SCHEMBL20128478

SCHEMBL20128478

ClC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
GBA1 P04062 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL20128496 0.90 BCHE (0.42) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL20128486 0.86 TACR1 (0.42) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL20128481 0.83 SPHK1 (0.41) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL20128479 0.83 LMNA (0.51) ALDH1A1SPHK2SPHK1GBA1
SCHEMBL19903874 0.83 SPHK1 (0.41) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9015295 0.83 LMNA (0.51) ALDH1A1SPHK2SPHK1GBA1
SCHEMBL24926340 0.81 ACHE (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL17805425 0.81 TACR1 (0.46) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL18801726 0.81 TACR1 (0.46) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL12410196 0.81 ACHE (0.45) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1

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 CYP2D6 2099/4885CYP1A2 1239/4885CYP3A4 972/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX CYP2D6 2099/4885CYP1A2 1239/4885CYP3A4 972/4885

“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.