SCHEMBL4095142

SCHEMBL4095142

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
GRM5 P41594 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
CSF1R P07333 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL4085314 0.99 RAB9A (0.43) RAB9AGRM5GAAHTTNPC1
SCHEMBL4090589 0.87 KCNQ3 (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4089385 0.87 KMT2A (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2063619 0.87 ALKBH1 (0.50) RAB9ANPC1KMT2AKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL4095369 0.86 KCNQ3 (0.57) RAB9AGRM5NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL4094581 0.86 KCNQ3 (0.55) RAB9ANPC1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4094577 0.86 KMT2A (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2063475 0.85 ALKBH1 (0.49) RAB9ANPC1KMT2AKCNQ3KCNQ2
SCHEMBL4083734 0.85 KMT2A (0.56) RAB9AHTTNPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL4085659 0.84 KMT2A (0.55) RAB9AHTTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-08-06 US claimed

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-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE CHRNA2, CHRNA6, CHRNA3 RAB9A 2092/4885GRM5 179/4885GAA 3364/4885

“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.