SCHEMBL1970284

SCHEMBL1970284

COc1ccc2c(CCN(C)C3CC3)c[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.72
HTR2A P28223 5/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HTR1A P08908 4/20 0.57
HTR2C P28335 4/20 0.57
HTR1D P28221 3/20 0.57
HTR1B P28222 3/20 0.57
HTR7 P34969 3/20 0.57
HTR2B P41595 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
HTR1E P28566 2/20 0.57
HTR5A P47898 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
HTR4 Q13639 2/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57

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
SCHEMBL30630385 1.00 HTR6 (0.72) HTR6HTR2AKMT2AMEN1HTR1A
SCHEMBL1968664 0.90 HTR1A (0.72) HTR6HTR2AKMT2AHTR1AHTR2C
SCHEMBL25241719 0.86 HTR2A (0.70) HTR6HTR2AKMT2AHTR1AHTR2C
SCHEMBL30418667 0.86 HTR2A (0.70) HTR6HTR2AKMT2AHTR1AHTR2C
SCHEMBL27084960 0.86 HTR1D (0.61) HTR6HTR2AKMT2AHTR1AHTR2C
SCHEMBL27084866 0.85 HTR6 (0.52) HTR6HTR2AKMT2AMEN1HTR1A
SCHEMBL29565485 0.84 HTR6 (1.00) HTR6HTR2AKMT2AMEN1HTR1A
SCHEMBL25247611 0.84 HTR6 (1.00) HTR6HTR2AKMT2AMEN1HTR1A
SCHEMBL1971952 0.83 HTR2A (0.57) HTR6HTR2AHTR1AHTR2CHTR1D
SCHEMBL27084867 0.83 HTR1D (0.63) HTR6HTR2AKMT2AHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 US disclosed
CN-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 CN disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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 (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-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES INMT, AANAT, HNMT HTR6 57/4885HTR2A 53/4885KMT2A 866/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HTR6 177/4885HTR2A 46/4885KMT2A 253/4885

“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.