SCHEMBL4100950

SCHEMBL4100950

NC1(c2cccs2)CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.39
PRCP P42785 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 4/20 0.38
OPRL1 P41146 3/20 0.38
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL2792924 0.86
Hydrochloric Acid SCHEMBL9861009 0.84 SLC6A2 (0.48) SLC6A2SLC6A3MEN1PRCPKMT2A
SCHEMBL17982812 0.82 SLC6A2 (0.56) SLC6A2SLC6A3MEN1PRCPKMT2A
SCHEMBL2685822 0.80 SLC6A2 (0.59) SLC6A2SLC6A3MEN1PRCPKMT2A
Hydrochloric Acid SCHEMBL20721259 0.80 SLC6A2 (0.55) SLC6A2SLC6A3MEN1PRCPKMT2A
SCHEMBL1401191 0.77 OPRM1 (0.50) SLC6A2SLC6A3MEN1PRCPKMT2A
SCHEMBL13182999 0.77 SLC6A2 (0.70) SLC6A2SLC6A3MEN1PRCPKMT2A
SCHEMBL2839265 0.74 OPRM1 (0.63) SLC6A2SLC6A3OPRM1OPRL1
SCHEMBL3786109 0.74 SLC6A2 (0.38) SLC6A2SLC6A3MEN1PRCPKMT2A
SCHEMBL5460789 0.73 OPRM1 (0.38) SLC6A2SLC6A3MEN1PRCPKMT2A

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
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 SLC6A2 198/4885SLC6A3 284/4885MEN1 3427/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 SLC6A2 198/4885SLC6A3 284/4885MEN1 3427/4885

“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.