SCHEMBL2298329

SCHEMBL2298329

Fc1ccc(N2CC[N]CC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.48
PHGDH O43175 1/20 0.44
ADRB1 P08588 1/20 0.43
RAD51 Q06609 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RPS6KB1 P23443 1/20 0.42
KAT2B Q92831 2/20 0.41
PIN1 Q13526 1/20 0.41
BRD9 Q9H8M2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY5R Q15761 1/20 0.40
MMP2 P08253 1/20 0.39

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
SCHEMBL3126007 0.86 RAD51 (0.43) ABCG2ADRB1RAD51MAPTLMNA
SCHEMBL23843625 0.83 ABCG2 (0.48) ABCG2PHGDHADRB1RAD51MAPT
SCHEMBL1859912 0.83 ADRB1 (0.61) PHGDHADRB1MAPTLMNAALOX12
SCHEMBL1447167 0.83 MLYCD (0.43) PHGDHRAD51LMNASMN1; SMN2RPS6KB1
SCHEMBL25596780 0.81 DRD2 (0.50) ABCG2ADRB1RAD51MAPTLMNA
SCHEMBL20236384 0.79 MAPT (0.55) ABCG2PHGDHRAD51MAPTLMNA
SCHEMBL232655 0.79 ADRB1 (0.71) ADRB1ALDH1A1
SCHEMBL3122946 0.79 ADRB1 (0.43) PHGDHADRB1MAPTLMNASMN1; SMN2
SCHEMBL2090991 0.77 ADRB1 (0.54) PHGDHADRB1MAPTLMNAALOX12
Hydrochloric Acid SCHEMBL4897454 0.77 ADRB1 (0.69) ADRB1MAPTALDH1A1

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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 (1 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I ABCG2 986/4885PHGDH 1756/4885ADRB1 1852/4885

“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.