SCHEMBL4089385

SCHEMBL4089385

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
USP2 O75604 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 4/20 0.41
HTR1A P08908 3/20 0.41
HTR1F P30939 3/20 0.41
HTR1B P28222 2/20 0.41
HTR1D P28221 2/20 0.41
CHRNA7 P36544 1/20 0.40
FPR2 P25090 1/20 0.39
POLB P06746 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLEC Q15149 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
PRKAA2 P54646 1/20 0.39
TP53 P04637 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
Hydrochloric Acid SCHEMBL4094577 0.99 KMT2A (0.43) KMT2AUSP2CYP11B1CYP11B2MEN1
SCHEMBL4085016 0.91 HTR1F (0.50) KMT2ACYP11B1CYP11B2MEN1HTR1A
Hydrochloric Acid SCHEMBL4091202 0.89 HTR1F (0.49) CYP11B1CYP11B2HTR1AHTR1FHTR1B
SCHEMBL4084213 0.88 KCNQ3 (0.49) KMT2ACYP11B1CYP11B2HTR1AHTR1F
SCHEMBL2063619 0.88 ALKBH1 (0.50) KMT2AKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL4086359 0.87 KCNQ3 (0.48) KMT2ACYP11B1CYP11B2HTR1AHTR1F
Hydrochloric Acid SCHEMBL2063475 0.87 ALKBH1 (0.49) KMT2AKDM4ENPC1RAB9A
SCHEMBL4095142 0.87 RAB9A (0.44) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4085314 0.86 RAB9A (0.43) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4079918 0.85 KMT2A (0.50) KMT2AMEN1POLBKDM4EALDH1A1

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 KMT2A 2614/4885USP2 4218/4885CYP11B1 1189/4885

“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.