SCHEMBL1990730

SCHEMBL1990730

C[N+](C)(C)CCn1ccc2c(N)cccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
HTR2A P28223 3/20 0.39
PARP1 P09874 1/20 0.38
CDK4 P11802 4/20 0.34
CCND1 P24385 4/20 0.34
HTR6 P50406 3/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 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
SCHEMBL1981671 0.91 HTR2C (0.39) HTR2CHTR2APARP1CDK4CCND1
SCHEMBL12597616 0.86 HTR2C (0.36) HTR2CHTR2APARP1HTR6ALDH1A1
SCHEMBL12598095 0.86 HTR2C (0.36) HTR2CHTR2APARP1HTR6P2RX7
SCHEMBL12597615 0.83 HTR2C (0.35) HTR2CHTR2APARP1HTR6ALDH1A1
SCHEMBL337413 0.81 HTR2C (0.68) HTR2CHTR2AHTR6
SCHEMBL913801 0.78 MPO (0.44) HTR2CHTR2APARP1HTR6ALDH1A1
SCHEMBL30672847 0.77 HTR2C (0.42) HTR2CHTR2APARP1
SCHEMBL14909548 0.77 HTR2C (0.42) HTR2CHTR2APARP1
SCHEMBL12597857 0.74 CNR1 (0.35) CYP3A4P2RX7
SCHEMBL14671387 0.74 HTR2C (0.38) HTR2CHTR2APARP1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509977-B1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF OREAL (FR) 2014-03-26 EP claimed
US-20130025618-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2013-01-31 US claimed
WO-2011069952-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 WO claimed
EP-2509977-B1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF OREAL (FR) 2014-03-26 EP disclosed
EP-2509977-B1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF OREAL (FR) 2014-03-26 EP disclosed
WO-2011069952-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 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-20130025618-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF TPH1, TPH2, FARS2 HTR2C 49/4885HTR2A 267/4885PARP1 2109/4885

“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.