SCHEMBL6490191

SCHEMBL6490191

COc1cc(C)c(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
LRRK2 Q5S007 1/20 0.32
ATR Q13535 1/20 0.32
PRKDC P78527 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNA2 Q15822 1/20 0.31
DHODH Q02127 2/20 0.31
P2RX7 Q99572 1/20 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
SCHEMBL6491690 0.87 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6490790 0.84 HTR2C (0.36) HTR2CHTR2AHTR2BLRRK2ATR
SCHEMBL6501489 0.84 PARP14 (0.35) HTR2CHTR2AHTR2B
SCHEMBL6790044 0.84 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6502241 0.83 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL6502139 0.83 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6789302 0.83 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL6810852 0.82 HTR2C (0.32) HTR2CHTR2AHTR2B
SCHEMBL6810658 0.82 TYK2 (0.35) HTR2CHTR2AHTR2B
SCHEMBL6500220 0.81 HTR2C (0.36) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885

“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.