SCHEMBL16508306

SCHEMBL16508306

c1cc2c(cc1N1CCNCC1)nc1n2CCN2CCCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
CDK4 P11802 6/20 0.38

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
SCHEMBL10298632 0.91 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895680 0.87 KDM4E (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7887512 0.85 MAPT (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16500495 0.82 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298623 0.80 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6893826 0.80 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6895693 0.80 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6896185 0.78 PGR (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL422678 0.78 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7879805 0.78 MAPT (0.50) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 MAPT 951/4885ALDH1A1 2544/4885SMN1; SMN2 1591/4885

“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.