SCHEMBL14858253

SCHEMBL14858253

Nc1cc(C(=O)N2CCCC2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.62
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 2/20 0.53
HSD11B1 P28845 1/20 0.50

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
SCHEMBL5338061 0.98 HPGD (0.65) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL6179799 0.87 GABRP (0.59) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL28226884 0.85 MEN1 (0.55) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL18175986 0.85 PKM (0.55) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL13888987 0.84 L3MBTL3 (0.65) KDM4EALDH1A1MEN1KMT2A
SCHEMBL7498578 0.82 LMNA (0.49) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL19966525 0.82 CCNT1 (0.49) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL5014449 0.79 HPGD (0.58) HPGDKDM4EALDH1A1GRIA3GRIA4
SCHEMBL34463093 0.79 HPGD (0.58) HPGDKDM4EALDH1A1GRIA3GRIA4
SCHEMBL939096 0.79 PROKR1 (0.63) HPGDKDM4EALDH1A1HSD11B1GRIA3

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-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
US-9938261-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2018-04-10 US disclosed
EP-2766359-B9 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2017-04-05 EP disclosed
US-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-12-15 US disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-9452167-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-09-27 US disclosed
EP-2766359-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2016-04-13 EP disclosed
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-07-16 US disclosed
US-8952058-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-02-10 US disclosed
EP-2766359-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES Ambit Biosciences Corporation (US) 2014-08-20 EP disclosed
EP-2730564-A1 Heterocycle amines and uses thereof Ligand Pharmaceuticals Inc. (US) 2014-05-14 EP disclosed
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 US disclosed
WO-2013056070-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 WO 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-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA HPGD 1248/4885GABRP 1155/4885GABRD 1435/4885
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA HPGD 1248/4885GABRP 1155/4885GABRD 1435/4885
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 HPGD 2874/4885GABRP 3058/4885GABRD 3710/4885
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA HPGD 1248/4885GABRP 1155/4885GABRD 1435/4885

“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.