SCHEMBL8250090

SCHEMBL8250090

CCCCC1(C)CCCCN(C)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP2D6 P10635 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
SCHEMBL23315960 0.86 OPRM1 (0.31) OPRM1
SCHEMBL22663697 0.82 USP2 (0.32)
SCHEMBL22255130 0.80 SLC22A1 (0.40) SLC22A1CHRM2ACHESLC6A4OPRM1
SCHEMBL2344033 0.77 HSD17B10 (0.36) OPRM1
SCHEMBL7997017 0.75 CETP (0.36)
SCHEMBL25467291 0.75 SLC22A1 (0.36) SLC22A1CHRM2ACHESLC6A4OPRM1
SCHEMBL8179032 0.74 OPRM1 (0.33) CHRM2OPRM1
SCHEMBL23466099 0.74 SLC22A1 (0.34) SLC22A1CHRM2ACHESLC6A4OPRM1
Ammonia Solution, Strong SCHEMBL28128663 0.73 CETP (0.35)
SCHEMBL11227490 0.73

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-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 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-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES REN, AVPR1B, WNK1 SLC22A1 4080/4885CHRM2 3102/4885ACHE 3650/4885
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives REN, AVPR1B, WNK1 SLC22A1 4080/4885CHRM2 3102/4885ACHE 3650/4885

“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.