SCHEMBL6217869

SCHEMBL6217869

CCSc1cc(-c2ccc(Cl)cc2Cl)cc2c1NC1CCNCC21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
SLC6A2 P23975 7/20 0.34
SLC6A4 P31645 7/20 0.34
HTR2C P28335 6/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 6/20 0.32
HTR2B P41595 5/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 2/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL6216964 0.90 MAPK1 (0.34) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL6218592 0.85 SLC6A2 (0.39) SLC6A2SLC6A4HTR2CMAPK1KMT2A
SCHEMBL6216628 0.84 MAPK1 (0.36) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL4926099 0.82 MAPK1 (0.36) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL6674372 0.79 AHR (0.34) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL6669223 0.79 AHR (0.34) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL6215819 0.78 HTR2C (0.41) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL6216300 0.77 HTR2C (0.41) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL6217518 0.76 MAPK1 (0.40) AHRSLC6A2SLC6A4HTR2CMAPK1
SCHEMBL905993 0.76 MAPK1 (0.40) AHRSLC6A2SLC6A4HTR2CMAPK1

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-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
EP-1414819-B1 THERAPEUTIC 1H-PYRIDO[4,3-b]INDOLES PHARMACIA & UPJOHN CO LLC (US) 2005-10-12 EP disclosed
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 AHR 263/4885SLC6A2 55/4885SLC6A4 20/4885

“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.