SCHEMBL3314944

SCHEMBL3314944

Cc1ccc(C(=O)NC2CCCCN2C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
MAPK1 P28482 1/20 0.49
OPRK1 P41145 1/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL3314942 1.00 ALDH1A1 (0.57) ALDH1A1GAAHPGDNPC1CYP1A2
SCHEMBL27604695 0.83 DPP7 (0.48) GAANPC1RAB9AKMT2AMEN1
SCHEMBL9233705 0.78 MEN1 (0.47) ALDH1A1GAAHPGDNPC1CYP1A2
SCHEMBL13397197 0.77 KMT2A (0.57) ALDH1A1HPGDNPC1CYP1A2CYP2C19
SCHEMBL3319118 0.77 KMT2A (0.57) ALDH1A1HPGDNPC1CYP1A2CYP2C19
SCHEMBL3319110 0.77 KMT2A (0.57) ALDH1A1HPGDNPC1CYP1A2CYP2C19
SCHEMBL7465144 0.77 KMT2A (0.48) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL2401169 0.74 CARM1 (0.52) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28961482 0.73 USP30 (0.54) NPC1KMT2AMEN1KDM4ELMNA
Hydrochloric Acid SCHEMBL5708690 0.73 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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
EP-2123769-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORP (JP) 2016-05-18 EP disclosed
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2015-06-18 US disclosed
US-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2013-03-28 US disclosed
US-8338142-B2 Method for producing optically active 3-aminopiperidine or salt thereof KANEKA CORPORATION (JP) 2012-12-25 US disclosed
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2010-04-29 US disclosed
EP-2123769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF Kaneka Corporation (JP) 2009-11-25 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 (3 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-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP ALDH1A1 1293/4885GAA 131/4885HPGD 479/4885
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP ALDH1A1 1293/4885GAA 131/4885HPGD 479/4885
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP ALDH1A1 1293/4885GAA 131/4885HPGD 479/4885

“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.