SCHEMBL13833367

SCHEMBL13833367

NCCc1cc(-c2ccc(F)cn2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
IGF1R P08069 1/20 0.39
NOTUM Q6P988 3/20 0.37
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM5 P41594 4/20 0.35
TAAR1 Q96RJ0 1/20 0.34
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
TRPV3 Q8NET8 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1456855 0.80 NOTUM (0.53) RAB9ANPC1NOTUMCYP2E1CYP2A6
SCHEMBL15519005 0.74 MAPT (0.51) RAB9ANPC1CYP2C19DRD2DRD4
SCHEMBL811754 0.70 GRM5 (0.47) NPC1GRM5TRPV3L3MBTL1
SCHEMBL15603519 0.69 NOTUM (0.74) RAB9ANPC1NOTUMCYP2E1CYP2A6
SCHEMBL28927301 0.67 NOTUM (0.76) RAB9ANPC1NOTUMCYP2C9CYP2C19
SCHEMBL25392646 0.66 IDO1 (0.45) RAB9ANPC1NOTUMCYP2E1CYP2A6
SCHEMBL2906099 0.66 NOTUM (0.70) RAB9ANPC1NOTUMCYP2E1CYP2A6
SCHEMBL1221480 0.66 NOTUM (0.37) RAB9ANPC1NOTUMCYP2E1CYP2A6
SCHEMBL475520 0.65 HRH1 (0.47) CYP2C9CYP2C19TAAR1TDP1
SCHEMBL29791989 0.65 HRH1 (0.47) CYP2C9CYP2C19TAAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP disclosed
WO-2012153729-A1 HETEROAROMATIC RING DERIVATIVE 大正製薬株式会社 (JP) 2012-11-15 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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT RAB9A 1031/4885NPC1 610/4885IGF1R 1002/4885

“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.