SCHEMBL984621

SCHEMBL984621

O=C(NC[C@H]1N[C@@H]2CC[C@H]1C2)c1cccc2occc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.42
HCRTR2 O43614 8/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
CTSC P53634 1/20 0.36
CACNA1H O95180 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL1339673 0.80 HCRTR1 (0.43) HCRTR1HCRTR2MRGPRX1GBA1ALDH1A1
SCHEMBL13176296 0.80 HCRTR1 (0.43) HCRTR1HCRTR2MRGPRX1GBA1ALDH1A1
SCHEMBL1572333 0.78 HCRTR1 (0.41) HCRTR1HCRTR2MRGPRX1GBA1ALDH1A1
SCHEMBL1572330 0.78 HCRTR1 (0.41) HCRTR1HCRTR2MRGPRX1GBA1ALDH1A1
SCHEMBL982517 0.76 HTR4 (0.51)
SCHEMBL2127093 0.76 HTR4 (0.51)
Hydrochloric Acid SCHEMBL1398738 0.76 MRGPRX1 (0.44) HCRTR1HCRTR2MRGPRX1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL1398737 0.76 MRGPRX1 (0.44) HCRTR1HCRTR2MRGPRX1ALDH1A1NPC1
SCHEMBL983709 0.74 CNR1 (0.51) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3647141 0.72 MRGPRX1 (0.45) HCRTR1HCRTR2MRGPRX1BRD4

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
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 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-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 HCRTR1 2/4885HCRTR2 1/4885MRGPRX1 314/4885

“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.