SCHEMBL4079918

SCHEMBL4079918

COc1ccc(C(=O)Nc2cnc(N3CCN4CCC3CC4)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 1/20 0.46
NR4A1 P22736 1/20 0.46
MCL1 Q07820 1/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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 SCHEMBL4086354 0.99 KMT2A (0.49) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4083734 0.88 KMT2A (0.56) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4085016 0.88 HTR1F (0.50) KMT2AMEN1RAB9ANPC1TP53
Hydrochloric Acid SCHEMBL4085659 0.87 KMT2A (0.55) KMT2AMEN1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4091202 0.86 HTR1F (0.49) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4084213 0.85 KCNQ3 (0.49) KMT2ARAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4089385 0.85 KMT2A (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL2063619 0.85 ALKBH1 (0.50) KMT2ARAB9ANPC1KDM4EPTPN11
Hydrochloric Acid SCHEMBL4094577 0.84 KMT2A (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL4086359 0.84 KCNQ3 (0.48) KMT2ARAB9ATP53SMN1; SMN2ALOX15

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 4 patents. 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
EP-2041134-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-04-01 EP claimed
WO-2007138039-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO claimed
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 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-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE CHRNA2, CHRNA6, CHRNA3 KMT2A 2614/4885MEN1 4179/4885RAB9A 2092/4885

“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.