SCHEMBL3564428

SCHEMBL3564428

O=C1C(Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCN1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HSD11B1 P28845 1/20 0.39
ROCK2 O75116 3/20 0.38
TP53 P04637 1/20 0.36
MAPK14 Q16539 2/20 0.35
MLNR O43193 1/20 0.35
CYP2D6 P10635 1/20 0.35
PLAT P00750 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
TACR1 P25103 1/20 0.34
FPR2 P25090 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL3564422 1.00 HTR2A (0.43) HTR2AHTR2CHSD11B1ROCK2TP53
Trifluoroacetic Acid SCHEMBL381532 0.92 PRCP (0.38) HTR2AHTR2CHSD11B1ROCK2CHRM2
SCHEMBL13031267 0.91 TP53 (0.46) HTR2AHTR2CHSD11B1ROCK2TP53
SCHEMBL3563830 0.88 AKR1C2 (0.38) HTR2AHTR2CHSD11B1ROCK2PLAT
SCHEMBL3563833 0.88 AKR1C2 (0.38) HTR2AHTR2CHSD11B1ROCK2PLAT
SCHEMBL474673 0.86 HSD11B1 (0.39) HSD11B1ROCK2CYP2D6CHRM2CHRM3
SCHEMBL474674 0.86 HSD11B1 (0.39) HSD11B1ROCK2CYP2D6CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL381380 0.85 TP53 (0.39) HSD11B1TP53CYP2D6CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL381484 0.84 P2RY14 (0.37) HSD11B1PLATCHRM2FPR2HTR1A
SCHEMBL4028976 0.84 HSD11B1 (0.40) HSD11B1ROCK2TP53

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-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HTR2A 1473/4885HTR2C 1544/4885HSD11B1 1/4885

“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.