SCHEMBL6840784

SCHEMBL6840784

COc1ccc2c(c1)CCC1(CCNCC1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 4/20 0.48
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 1/20 0.48
PRNP P04156 1/20 0.47
METAP1 P53582 2/20 0.42
MIF P14174 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK14 Q16539 1/20 0.41
ADRA2A P08913 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MPO P05164 1/20 0.40

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
SCHEMBL14603533 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL27081326 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18815844 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL29966360 0.83 SMN1; SMN2 (0.55) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6795634 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6796533 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL23986655 0.79 METAP1 (0.46) SMN1; SMN2HTR2AHTR2CHTR2BMETAP1
SCHEMBL29993125 0.79 METAP1 (0.46) SMN1; SMN2HTR2AHTR2CHTR2BMETAP1
SCHEMBL630002 0.78 SMN1; SMN2 (0.66) SMN1; SMN2PRNPMETAP1MIFCA1
SCHEMBL14409344 0.78 HTR2A (0.53) SMN1; SMN2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US claimed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO claimed
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 SMN1; SMN2 1008/4885HTR2A 281/4885HTR2C 96/4885

“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.