SCHEMBL322198

SCHEMBL322198

O=C(O)N1CCN(c2cc(Br)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PIK3CA P42336 1/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
GRM5 P41594 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB2 P07550 1/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11963517 0.94 MEN1 (0.44) KMT2AMEN1PIK3CAKDM4EALDH1A1
SCHEMBL30803918 0.86 NPC1 (0.50) KMT2AMEN1KDM4EALDH1A1TRPV1
SCHEMBL21193400 0.86 NPC1 (0.50) KMT2AMEN1KDM4EALDH1A1TRPV1
SCHEMBL15228566 0.84 PIK3CA (0.48) KMT2AMEN1PIK3CAKDM4EALDH1A1
SCHEMBL15205519 0.81 KMT2A (0.44) KMT2AMEN1KDM4EALDH1A1TRPV1
SCHEMBL28772301 0.81 GRM5 (0.60) PIK3CAKDM4EALDH1A1SMN1; SMN2TRPV1
SCHEMBL30525303 0.81 OPRD1 (0.55) PIK3CAKDM4EALDH1A1GRM5CYP3A4
SCHEMBL20339529 0.81 KDM4E (0.51) KMT2AMEN1PIK3CAKDM4EALDH1A1
SCHEMBL901264 0.79 GPR119 (0.54) ALDH1A1MAPT
SCHEMBL30179976 0.79 GPR119 (0.54) ALDH1A1MAPT

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
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E KMT2A 2068/4885MEN1 2568/4885PIK3CA 1342/4885

“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.