SCHEMBL16601096

SCHEMBL16601096

O=C(O)[C@@H]1CCC(=O)N1c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
KDM4E B2RXH2 4/20 0.41
PKM P14618 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NOTUM Q6P988 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
DDAH1 O94760 1/20 0.39
GRM2 Q14416 1/20 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
SCHEMBL17940663 1.00 P2RX7 (0.45) P2RX7KDM4EPKMCYP1A2CYP2D6
SCHEMBL9106277 0.77 P2RX7 (0.44) P2RX7NOTUM
SCHEMBL9105409 0.77 P2RX7 (0.44) P2RX7NOTUM
SCHEMBL289579 0.77 P2RX7 (0.51) P2RX7NOTUMHTTKMT2A
SCHEMBL289664 0.77 P2RX7 (0.51) P2RX7NOTUMHTTKMT2A
SCHEMBL630463 0.77 P2RX7 (0.51) P2RX7NOTUMHTTKMT2A
SCHEMBL19974915 0.76 KMT2A (0.45) PKMMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL289504 0.74 HCRTR1 (0.59) P2RX7CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL298888 0.74 HCRTR1 (0.59) P2RX7CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9107918 0.70 P2RX7 (0.54) P2RX7KDM4ECYP1A2CYP2D6CYP2C9

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 87/4885KDM4E 1332/4885PKM 4788/4885

“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.