SCHEMBL4522844

SCHEMBL4522844

NC(Cc1ccccc1)C1(N)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
EPHX1 P07099 1/20 0.44
ANPEP P15144 1/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOB P27338 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
SCHEMBL8570543 0.81 EPHX1 (0.42) OPRM1EPHX1ANPEPSLC6A2SLC6A4
SCHEMBL12585537 0.71 MAOA (0.73) OPRM1SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL27820510 0.68 SLC6A2 (0.48) EPHX1ANPEPSLC6A2SLC6A4TAAR1
SCHEMBL1153151 0.68 EPHX1 (0.47) EPHX1ANPEPSLC6A2SLC6A4TAAR1
SCHEMBL27651482 0.68 EPHX1 (0.47) OPRM1EPHX1ANPEPSLC6A2SLC6A4
SCHEMBL1661394 0.68 EPHX1 (0.47) EPHX1ANPEPSLC6A2SLC6A4TAAR1
SCHEMBL1153125 0.68 EPHX1 (0.47) OPRM1EPHX1ANPEPSLC6A2SLC6A4
SCHEMBL28889619 0.68 OPRM1 (0.47) OPRM1SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL20787990 0.68 TACR1 (0.45) OPRM1SLC6A2SLC6A4MEN1ALDH1A1
SCHEMBL8971081 0.68 OPRM1 (0.43) OPRM1ANPEPSLC6A2SLC6A4MEN1

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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A OPRM1 2090/4885EPHX1 3969/4885ANPEP 1241/4885

“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.