SCHEMBL19829387

SCHEMBL19829387

BC(=O)N1CCC(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADAM10 O14672 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
LMNA P02545 1/20 0.36
LIPE Q05469 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS5 Q9UNA0 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
SCHEMBL17229685 0.85 RBP4 (0.43) QDPRKCNH2LIPE
SCHEMBL18284775 0.78 ALDH1A1 (0.42) QDPRALDH1A1HPGDUBE2MDCUN1D1
SCHEMBL17232803 0.76 RBP4 (0.47) QDPRKCNH2LIPE
SCHEMBL23057248 0.74 QDPR (0.52) QDPRKCNH2
SCHEMBL26373288 0.72 MAPT (0.44) QDPRALDH1A1HPGDTP53MAPT
SCHEMBL16954865 0.72 HTR2C (0.43) ALDH1A1TSHRLMNA
SCHEMBL18278284 0.71 KDM4E (0.52) MAPT
SCHEMBL12306056 0.71 CA12 (0.46) QDPRKCNH2HRH3NPC1RAB9A
SCHEMBL16957971 0.70 HTR2C (0.45) ALDH1A1TSHR
SCHEMBL24728251 0.69 RBP4 (0.50) KCNH2

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-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-16 US disclosed
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 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-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 QDPR 42/4885ALDH1A1 3360/4885HPGD 3035/4885
US-11649240-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 QDPR 42/4885ALDH1A1 3360/4885HPGD 3035/4885

“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.