SCHEMBL21138680

SCHEMBL21138680

Ic1ccc2c(ccn2C2CCNCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.43
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD2 P14416 1/20 0.35
BRD4 O60885 7/20 0.34
MAPK14 Q16539 2/20 0.33
HTR6 P50406 2/20 0.33
DRD3 P35462 1/20 0.33
KDM1A O60341 2/20 0.33
CCR3 P51677 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL27771394 0.81 KDM4C (0.43) KDM4CSLC6A4SLC6A2SLC6A3DRD2
SCHEMBL7149460 0.81 CCR3 (0.46) KDM4CMAPK14HTR6CCR3
SCHEMBL1865494 0.81 PRKCI (0.45) KDM4CSLC6A4SLC6A2SLC6A3DRD2
SCHEMBL20135460 0.81 KDM4C (0.43) KDM4CSLC6A4SLC6A2SLC6A3DRD2
SCHEMBL4676971 0.81 SCD (0.45) KDM4CSLC6A4SLC6A2SLC6A3HTR6
SCHEMBL4996021 0.79 KDM4C (0.44) KDM4CSLC6A4SLC6A2SLC6A3BRD4
SCHEMBL24124024 0.78 KDM4C (0.41) KDM4CSLC6A4SLC6A2SLC6A3DRD2
SCHEMBL21671819 0.78 KDM4C (0.41) KDM4CSLC6A4SLC6A2SLC6A3DRD2
SCHEMBL25675824 0.78 KDM4C (0.43) KDM4CSLC6A4SLC6A2SLC6A3DRD2
SCHEMBL1239171 0.77 DRD2 (0.55) KDM4CSLC6A4DRD2HTR6OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 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 (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-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 KDM4C 3719/4885SLC6A4 2805/4885SLC6A2 2407/4885

“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.