SCHEMBL19953539

SCHEMBL19953539

CO[C@H]1c2ccccc2C[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
KDM1A O60341 4/20 0.43
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CTSD P07339 1/20 0.38
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 4/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL24065055 1.00 HTR6 (0.43) HTR6KDM1AHTR2ASIGMAR1CTSD
SCHEMBL6631116 1.00 HTR6 (0.43) HTR6KDM1AHTR2ASIGMAR1CTSD
SCHEMBL19182923 1.00 HTR6 (0.43) HTR6KDM1AHTR2ASIGMAR1CTSD
SCHEMBL6631112 1.00 HTR6 (0.43) HTR6KDM1AHTR2ASIGMAR1CTSD
SCHEMBL3047034 1.00 HTR6 (0.43) HTR6KDM1AHTR2ASIGMAR1CTSD
Hydrochloric Acid SCHEMBL4199739 0.98 KDM1A (0.46) HTR6KDM1AHTR2ASIGMAR1CTSD
Hydrochloric Acid SCHEMBL31324603 0.98 KDM1A (0.46) HTR6KDM1AHTR2ASIGMAR1CTSD
SCHEMBL15375784 0.81 IDO1 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19182899 0.80 KDM1A (0.40) KDM1AHTR2ASIGMAR1SLC6A2SLC6A4
SCHEMBL20678731 0.80 KDM1A (0.40) KDM1AHTR2ASIGMAR1SLC6A2SLC6A4

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-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 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-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 HTR6 171/4885KDM1A 1761/4885HTR2A 155/4885

“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.