SCHEMBL3320567

SCHEMBL3320567

Cc1ccc(C(=O)NC2CCCNC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
HPGD P15428 2/20 0.68
NPC1 O15118 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
OPRK1 P41145 2/20 0.60
MAPK1 P28482 1/20 0.60
CHEK1 O14757 3/20 0.56
CDK2AP1 O14519 1/20 0.56
HDAC4 P56524 1/20 0.55
USP2 O75604 1/20 0.50
KDM1A O60341 1/20 0.50
PBK Q96KB5 1/20 0.48
LMNA P02545 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
SCHEMBL17888469 1.00 RAB9A (0.68) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL14679163 0.91 RAB9A (0.62) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL12045094 0.89 MAPK1 (0.57) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL3242515 0.86 MAPK1 (0.57) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL3242517 0.86 MAPK1 (0.57) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL17886791 0.86 MAPK1 (0.57) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL3315567 0.85 MAPK1 (0.56) RAB9ANPC1OPRK1MAPK1CHEK1
SCHEMBL14023410 0.85 CHEK1 (0.57) RAB9AHPGDNPC1CYP1A2CYP2C19
SCHEMBL1163022 0.85 MAPK1 (0.59) RAB9ANPC1SMN1; SMN2OPRK1MAPK1
SCHEMBL1163023 0.85 MAPK1 (0.59) RAB9ANPC1SMN1; SMN2OPRK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 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-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 (5 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 RAB9A 3888/4885HPGD 994/4885NPC1 3586/4885
US-20130079525-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP RAB9A 1208/4885HPGD 479/4885NPC1 3644/4885
US-20100105917-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP RAB9A 1208/4885HPGD 479/4885NPC1 3644/4885
US-20150166481-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 3-AMINOPIPERIDINE OR SALT THEREOF NPEPPS, APEH, DNPEP RAB9A 1208/4885HPGD 479/4885NPC1 3644/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 RAB9A 3888/4885HPGD 994/4885NPC1 3586/4885

“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.