SCHEMBL3318912

SCHEMBL3318912

Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 6/20 0.56
EPHX2 P34913 1/20 0.56
LMNA P02545 1/20 0.51
PHGDH O43175 1/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
POLB P06746 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL3318918 1.00 NPC1 (0.62) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL13397197 0.95 KMT2A (0.57) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL3319118 0.95 KMT2A (0.57) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL3319110 0.95 KMT2A (0.57) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL3316682 0.94 GRM5 (0.56) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL3316689 0.94 GRM5 (0.56) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL3316676 0.94 GRM5 (0.56) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL3316668 0.94 GRM5 (0.56) NPC1CYP1A2HPGDCYP2C19RAB9A
SCHEMBL412447 0.86 NPC1 (0.62) NPC1RAB9AKMT2AEPHX2POLB
SCHEMBL3320973 0.86 GLA (0.60) RAB9AKMT2AEPHX2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES ARTAX BIOPHARMA INC. 2020-04-30 US disclosed
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-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-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-8338142-B2 Method for producing optically active 3-aminopiperidine or salt thereof KANEKA CORPORATION (JP) 2012-12-25 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
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF KANEKA CORPORATION (JP) 2010-04-29 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 (4 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 NPC1 3644/4885CYP1A2 1875/4885HPGD 479/4885
US-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES CD4, CD2, CCR1 NPC1 2117/4885CYP1A2 514/4885HPGD 1870/4885
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP NPC1 3644/4885CYP1A2 1875/4885HPGD 479/4885
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP NPC1 3644/4885CYP1A2 1875/4885HPGD 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.