SCHEMBL1783138

SCHEMBL1783138

O=C(Nc1cnc(N2CCN3CCC2C3)nc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.48
BCAT2 O15382 2/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDR P35968 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
KMT2A Q03164 2/20 0.40
PTPN11 Q06124 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 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
Fumaric Acid SCHEMBL1782498 0.95 ALKBH1 (0.44) ALKBH1BCAT2KCNQ3KCNQ2P4HTM
SCHEMBL2063619 0.93 ALKBH1 (0.50) ALKBH1BCAT2KCNQ3KCNQ2P4HTM
Hydrochloric Acid SCHEMBL2063475 0.92 ALKBH1 (0.49) ALKBH1BCAT2KCNQ3KCNQ2P4HTM
SCHEMBL4085016 0.83 HTR1F (0.50) KCNQ3KCNQ2P4HTMRAB9ANPC1
Hydrochloric Acid SCHEMBL4091202 0.82 HTR1F (0.49) KCNQ3KCNQ2P4HTMRAB9ANPC1
SCHEMBL4084213 0.81 KCNQ3 (0.49) KCNQ3KCNQ2P4HTMRAB9AKMT2A
SCHEMBL4089385 0.81 KMT2A (0.43) RAB9ANPC1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4094577 0.81 KMT2A (0.43) RAB9ANPC1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4086359 0.81 KCNQ3 (0.48) KCNQ3KCNQ2P4HTMRAB9AKMT2A
SCHEMBL4090589 0.80 KCNQ3 (0.56) KCNQ3KCNQ2RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 US claimed
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 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-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA6, CHRNA2, CHRNA10 ALKBH1 2314/4885BCAT2 2058/4885KCNQ3 807/4885

“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.