SCHEMBL3203141

SCHEMBL3203141

NC(=O)CCCN1CCN(N2CNc3ccccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ HTR1A P08908 5/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 1/20 0.36

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
SCHEMBL17103080 0.72 P2RX7 (0.54) HTR2A
SCHEMBL3197249 0.71 DRD2 (0.50) CACNA1GHTR1AHTR7DRD2DRD3
SCHEMBL1867299 0.70 CACNA1G (0.65) CACNA1GHTR1AHTR7DRD2HTR2A
SCHEMBL3200957 0.70 HTR1A (0.62) CACNA1GHTR1AHTR7DRD2HTR2A
SCHEMBL6406155 0.70 GAA (0.40) ADRA1AOPRM1ALDH1A1MEN1MAPK1
SCHEMBL3200095 0.69 ADRA1B (0.56) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL3187667 0.69 CACNA1G (0.63) SIGMAR1CACNA1GHTR1AHTR7DRD2
SCHEMBL17103067 0.69 ADRB1 (0.42) SIGMAR1HTR1AHTR7DRD2HTR2A
Hydrochloric Acid SCHEMBL3196046 0.69 CACNA1G (0.62) SIGMAR1CACNA1GHTR1AHTR7DRD2
SCHEMBL3207003 0.68 HTR1A (0.67) SIGMAR1CACNA1GHTR1AHTR7DRD2

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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 — — US claimed

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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 SIGMAR1 109/4885KDM1A 1985/4885CACNA1G 245/4885

“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.

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