SCHEMBL3846426

SCHEMBL3846426

COc1cccc(C(=O)N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 4/20 0.68
HPGD P15428 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
SIGMAR1 Q99720 1/20 0.59
ABL1 P00519 2/20 0.58
BCR P11274 2/20 0.58
HSD11B1 P28845 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
MGLL Q99685 1/20 0.58

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
SCHEMBL15036777 0.86 L3MBTL1 (0.76) L3MBTL1ALDH1A1HPGDCA12CA1
SCHEMBL2536884 0.86 L3MBTL1 (0.76) L3MBTL1ALDH1A1HPGDCA12CA1
SCHEMBL12509138 0.86 PARP1 (0.59) L3MBTL1ALDH1A1HPGDHSD11B1MEN1
SCHEMBL7251916 0.86 MEN1 (0.77) L3MBTL1ALDH1A1HPGDSIGMAR1ABL1
SCHEMBL2534098 0.85 L3MBTL1 (0.74) L3MBTL1ALDH1A1HPGDCA12CA1
SCHEMBL16026516 0.84 ALDH1A1 (0.61) ALDH1A1SIGMAR1
SCHEMBL8358286 0.84 SIGMAR1 (0.76) L3MBTL1ALDH1A1HPGDSIGMAR1
SCHEMBL13504020 0.84 ALDH1A1 (0.74) L3MBTL1ALDH1A1HPGDCA12CA1
SCHEMBL26296156 0.84 ALDH1A1 (0.74) L3MBTL1ALDH1A1HPGDCA12CA1
Hydrochloric Acid SCHEMBL9621122 0.83 ALDH1A1 (0.60) ALDH1A1HPGDSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2023-04-13 US disclosed
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) VALO HEALTH, INC. (US) 2022-10-25 US disclosed
CN-104262244-B A kind of 5-phenylpyridine-2-amine Bcr-Abl inhibitor and its preparation method and application Xi''an Jiao Tong University (CN) 2017-01-04 CN disclosed
CN-104262244-A 5-phenylpyridine-2-amine Bcr-Abl inhibitors as well as preparation method and application thereof UNIV XI AN JIAOTONG 2015-01-07 CN disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
EP-0250361-B1 Disubstituted piperazines CIBA GEIGY AG (CH) 1993-12-08 EP disclosed
US-4804661-A ANALGESICS CIBA-GEIGY CORPORATION (US) 1989-02-14 US disclosed
EP-0250361-A2 Disubstituted piperazines CIBA-GEIGY AG (CH) 1987-12-23 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-20230110003-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT L3MBTL1 4177/4885ALDH1A1 265/4885HPGD 105/4885
US-11479564-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT L3MBTL1 4177/4885ALDH1A1 265/4885HPGD 105/4885

“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.