SCHEMBL20128496

SCHEMBL20128496

Fc1ccc(C(Cl)(c2ccc(F)cc2)[C@@H]2CCCN2Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 3/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A12 P48065 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MCHR1 Q99705 1/20 0.41
CACNA1G O43497 1/20 0.41
TACR1 P25103 1/20 0.41
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

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 0.90 CYP2D6 (0.45) SPHK2SPHK1TACR1CYP1A2CYP3A4
SCHEMBL20128497 0.85 SPHK2 (0.44) SPHK2SPHK1SLC18A3SIGMAR1SLC6A12
SCHEMBL20128486 0.80 TACR1 (0.42) SPHK2SPHK1SIGMAR1TACR1CYP1A2
SCHEMBL18801726 0.78 TACR1 (0.46) SPHK2SPHK1TACR1CYP1A2CYP3A4
SCHEMBL17805425 0.78 TACR1 (0.46) SPHK2SPHK1TACR1CYP1A2CYP3A4
SCHEMBL20128488 0.78 CACNA1G (0.41) BCHEACHEBACE1SPHK2SPHK1
SCHEMBL19903894 0.77 CACNA1G (0.39) BCHEACHEBACE1SPHK2SPHK1
SCHEMBL9891867 0.76 GBA1 (0.47) SPHK2SPHK1SLC18A3SIGMAR1ALDH1A1
SCHEMBL24926340 0.75 ACHE (0.45) ACHESPHK2SPHK1CYP1A2CYP3A4
SCHEMBL12410196 0.75 ACHE (0.45) ACHESPHK2SPHK1CYP1A2CYP3A4

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 BCHE 1779/4885ACHE 423/4885BACE1 1916/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX BCHE 1779/4885ACHE 423/4885BACE1 1916/4885

“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.