SCHEMBL6783188

SCHEMBL6783188

FC(F)(F)c1ccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
KCNT1 Q5JUK3 1/20 0.33
KCNT2 Q6UVM3 1/20 0.33
GAA P10253 1/20 0.32
KCNK3 O14649 1/20 0.32
EPHX2 P34913 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
SCHEMBL6504366 0.94 HTR2C (0.40) HTR2CHTR2AHTR2BGAAKCNK3
SCHEMBL6783761 0.92 HTR2C (0.40) HTR2CHTR2AHTR2BGAA
SCHEMBL6789837 0.90 GAA (0.42) HTR2CHTR2AHTR2BGAAEPHX2
SCHEMBL6784660 0.90 HTR2C (0.36) HTR2CHTR2AHTR2BKCNK3EPHX2
SCHEMBL6501451 0.88 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6785120 0.86 HTR2C (0.40) HTR2CHTR2AHTR2BGAA
SCHEMBL6785096 0.83 HTR2C (0.40) HTR2CHTR2AHTR2BGAAKCNK3
SCHEMBL6782802 0.83 HTR2C (0.41) HTR2CHTR2AHTR2BEPHX2
SCHEMBL6492814 0.82 HTR2C (0.41) HTR2CHTR2AHTR2BGAA
SCHEMBL6494922 0.82 KDM4E (0.35) HTR2CHTR2AHTR2BGAA

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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885
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.