SCHEMBL6071365

SCHEMBL6071365

NC(=O)c1ccc(C=C2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.53
F10 P00742 10/20 0.47
PARP10 Q53GL7 2/20 0.41
PARP3 Q9Y6F1 1/20 0.41
OGA O60502 1/20 0.40
OPRD1 P41143 1/20 0.40
SRD5A2 P31213 2/20 0.38
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP16 Q8N5Y8 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PARP4 Q9UKK3 1/20 0.37

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
SCHEMBL3105025 0.79 PIM1 (0.55) OGAOPRD1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20304724 0.78 PIM1 (0.54) OGAOPRD1ALDH1A1KMT2A
SCHEMBL12076004 0.76 PRKACA (0.41) KMT2A
Hydrochloric Acid SCHEMBL20304896 0.73 PIM1 (0.49) OGAOPRD1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20304894 0.73 PIM1 (0.49) OGAOPRD1ALDH1A1KMT2A
SCHEMBL30576754 0.72 CES2 (0.35)
SCHEMBL6431796 0.72 SRD5A2 (0.49) F2F10PARP10OGASRD5A2
SCHEMBL14730978 0.72 MAOA (0.43) KMT2A
SCHEMBL16322736 0.72 HTR2C (0.48)
SCHEMBL20015685 0.72 IKBKB (0.48) ALDH1A1KMT2A

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
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 CN disclosed
US-7049441-B2 Process for preparation of benzylpiperidine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-23 US disclosed
US-20060094877-A1 Process for preparation of benzylpiperidine compounds MIKI SHOKYO 2006-05-04 US disclosed
US-20050038257-A1 Process for preparation of benzylpiperidine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-17 US disclosed
US-6833457-B1 Process for preparation of benzylpiperidine compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-21 US disclosed
EP-1359145-A1 PROCESS FOR PREPARATION OF BENZYLPIPERIDINE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-11-05 EP 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-20050038257-A1 Process for preparation of benzylpiperidine compounds SBDS, DRD4, HRH1 F2 708/4885F10 2593/4885PARP10 262/4885
US-20060094877-A1 Process for preparation of benzylpiperidine compounds SBDS, DRD4, HRH1 F2 708/4885F10 2593/4885PARP10 262/4885

“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.