SCHEMBL13638413

SCHEMBL13638413

Nc1c[nH]c2ccc(CCCN3CCN(c4nc(-c5cccnc5)cs4)CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTR1A P08908 4/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PIM1 P11309 1/20 0.38
NOD2 Q9HC29 1/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL1323788 0.88 HTR1A (0.41) HTR1DHTR1BLMNANPSR1SMN1; SMN2
SCHEMBL13638611 0.80 HTR1A (0.49) HTR1A
SCHEMBL6823577 0.78 HTR1A (0.60) HTR2AHTR1A
SCHEMBL13763299 0.76 HTR1D (0.57) HTR2AHTR1DHTR1BLMNAHTR1A
SCHEMBL1322976 0.70 HTR1A (0.51) HTR2BHTR1DHTR1BHTR1A
SCHEMBL1406250 0.69 HTR1A (0.46) HTR1A
SCHEMBL6819326 0.68 HTR1A (0.65) HTR2AHTR1A
SCHEMBL1406171 0.68 HTR1A (0.47) HTR2BHTR1DHTR1BHTR1A
SCHEMBL12123965 0.68 HTR1A (0.58) HTR1DHTR1BHTR1A
SCHEMBL12123970 0.67 KDM4E (0.44) HTR1DHTR1BALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 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-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A HTR2A 4/4885HTR2C 7/4885HTR2B 5/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HTR2A 4/4885HTR2C 7/4885HTR2B 6/4885

“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.