SCHEMBL3235403

SCHEMBL3235403

CC(C)(C)c1cccc(N2CCNCC2)c1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.51
HTR3A P46098 3/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
HTR1A P08908 3/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR6 P50406 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
NCF1 P14598 2/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47

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
SCHEMBL38664325 0.84 ADRB1 (0.59) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL630979 0.84 ADRB1 (0.59) ADRB1HTR3ADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL631231 0.83 ADRB1 (0.58) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL5340480 0.75 ADRB1 (0.56) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL29197334 0.75 RBP4 (0.49) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL17300889 0.74 HTR6 (0.44) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL6716435 0.72 ADRB1 (0.63) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL9790141 0.72 ADRB1 (0.63) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL22432016 0.72 ADRB1 (0.53) ADRB1HTR3ADRD2DRD3HTR1A
SCHEMBL15834279 0.71 ADRB1 (0.75) ADRB1HTR3ADRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US claimed
EP-3765082-A1 USES, COMPOSITIONS AND METHODS Fisahn, André (SE) 2021-01-20 EP claimed
WO-2019175395-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2019-09-19 WO claimed
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US disclosed
EP-3765082-A1 USES, COMPOSITIONS AND METHODS Fisahn, André (SE) 2021-01-20 EP disclosed
WO-2019175395-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2019-09-19 WO disclosed
WO-2009132454-A8 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-28 WO disclosed
WO-2009132454-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
WO-2009132454-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20210038589-A1 USES, COMPOSITIONS AND METHODS APP, CACNA1G, CACNA1B ADRB1 1403/4885HTR3A 970/4885DRD2 3952/4885
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1C, CACNA1I ADRB1 229/4885HTR3A 829/4885DRD2 389/4885

“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.