SCHEMBL19853552

SCHEMBL19853552

CN1CCNCC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
NR1H2 P55055 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TERT O14746 1/20 0.37
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL25572001 0.86 CNR1 (0.43) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL25572000 0.86 CNR1 (0.43) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL30706198 0.86 CNR1 (0.43) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL5240935 0.86 CNR1 (0.43) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL20046121 0.85 USP2 (0.45) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL20076239 0.85 NR1H2 (0.47) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL29132260 0.82 NR1H2 (0.47) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL2386299 0.80 CACNA2D1 (0.47) CNR1NR1H2USP2SMN1; SMN2CHRM2
SCHEMBL24186964 0.79 NR1H2 (0.52) CNR1NR1H2USP2SMN1; SMN2DDB1
SCHEMBL27432720 0.79 CACNA2D1 (0.48) CNR1NR1H2USP2SMN1; SMN2CHRM2

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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 (2 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 CNR1 1814/4885NR1H2 1913/4885USP2 3033/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 CNR1 1814/4885NR1H2 1913/4885USP2 3033/4885

“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.