SCHEMBL7446113

SCHEMBL7446113

Nc1ccc(CC2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GFER P55789 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR6 P50406 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
GBA1 P04062 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL40077 0.91 MEN1 (0.44) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL7438487 0.91 NFE2L2 (0.47) MEN1KMT2AGFERALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL14343979 0.89 MEN1 (0.43) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL3155441 0.89 NFE2L2 (0.50) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL14407436 0.86 CYP3A4 (0.52) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL1264017 0.85 GBA1 (0.66) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL2627277 0.85 MEN1 (0.43) MEN1KMT2AGFERALDH1A1CYP3A4
SCHEMBL4040585 0.82 LMNA (0.53) MEN1KMT2AGFERALDH1A1
SCHEMBL7926781 0.80 ACHE (0.42) MEN1KMT2AALDH1A1CYP3A4HTR6
SCHEMBL7747132 0.80 SPHK1 (0.41) MEN1KMT2AALDH1A1CYP3A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398689-B2 Benzopiperidine derivative, preparation method thereof and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-09-03 US disclosed
US-20180318284-A1 BENZOPIPERIDINE DERIVATIVE, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2018-11-08 US disclosed
EP-3395809-A1 BENZOPIPERIDINE DERIVATIVE, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2018-10-31 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO 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-20180318284-A1 BENZOPIPERIDINE DERIVATIVE, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CYP19A1, BRCA1, GPER1 MEN1 2082/4885KMT2A 1798/4885GFER 1876/4885
US-10398689-B2 Benzopiperidine derivative, preparation method thereof and medical use thereof CYP19A1, BRCA1, GPER1 MEN1 2082/4885KMT2A 1798/4885GFER 1876/4885

“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.