SCHEMBL16601331

SCHEMBL16601331

O=C(O)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.54
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
S1PR5 Q9H228 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL19975206 1.00 P2RX7 (0.54) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL10408410 1.00 P2RX7 (0.54) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL19975238 0.88 ALDH1A1 (0.54) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL19974867 0.88 ALDH1A1 (0.54) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL289574 0.88 P2RX7 (0.56) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL288652 0.88 P2RX7 (0.56) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL288651 0.88 P2RX7 (0.56) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL289716 0.87 GAA (0.58) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL1613647 0.87 GAA (0.58) P2RX7KMT2AALDH1A1GAAHCRTR1
SCHEMBL17940653 0.87 KMT2A (0.52) P2RX7KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052498-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS Council of Scientific & Industrial Research (IN) 2016-08-10 EP disclosed
US-20160214983-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-28 US disclosed
WO-2015044951-A1 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-02 WO 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-20160214983-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS TBXA2R, PDGFRA, TBXAS1 P2RX7 87/4885KMT2A 3077/4885ALDH1A1 902/4885

“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.