SCHEMBL6216628

SCHEMBL6216628

Cc1cc(-c2ccc(Cl)cc2Cl)cc2c1NC1CCNCC21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
AHR P35869 1/20 0.35
HTR2C P28335 8/20 0.35
HTR2B P41595 6/20 0.34
HTR2A P28223 6/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4926099 0.86 MAPK1 (0.36) MAPK1KMT2AAHRHTR2CHTR2B
SCHEMBL6216964 0.86 MAPK1 (0.34) MAPK1KMT2AAHRHTR2CHTR2B
SCHEMBL6218592 0.86 SLC6A2 (0.39) MAPK1KMT2AHTR2CHTR2BHTR2A
SCHEMBL6217869 0.84 AHR (0.35) MAPK1KMT2AAHRHTR2CHTR2B
SCHEMBL12029844 0.80 MAPK1 (0.40) MAPK1KMT2AAHRHTR2CHTR2A
SCHEMBL6217518 0.80 MAPK1 (0.40) MAPK1KMT2AAHRHTR2CHTR2A
SCHEMBL905993 0.80 MAPK1 (0.40) MAPK1KMT2AAHRHTR2CHTR2A
SCHEMBL1841460 0.79 JAK3 (0.39) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL13627329 0.77 HTR2C (0.42) AHRHTR2C
SCHEMBL4469750 0.77 HTR2C (0.42) AHRHTR2C

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
EP-1414819-B1 THERAPEUTIC 1H-PYRIDO[4,3-b]INDOLES PHARMACIA & UPJOHN CO LLC (US) 2005-10-12 EP claimed
US-6849640-B2 Therapeutic 1H-pyrido [4,3-b] indoles PHARMACIA & UPJOHN COMPANY (US) 2005-02-01 US claimed
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
US-6849640-B2 Therapeutic 1H-pyrido [4,3-b] indoles PHARMACIA & UPJOHN COMPANY (US) 2005-02-01 US disclosed
US-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles PHARMACIA & UPJOHN COMPANY 2003-03-27 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 (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-20030060464-A1 Therapeutic 1H-pyrido [ 4, 3-b ] indoles HTR3B, HTR4, HTR3C MAPK1 3730/4885KMT2A 4111/4885AHR 263/4885

“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.