SCHEMBL6790732

SCHEMBL6790732

CC(=O)c1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.57
HTR2A P28223 4/20 0.57
HTR2B P41595 2/20 0.57
ADRA1D P25100 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC9A1 P19634 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.32
RAF1 P04049 1/20 0.31
CCNT1 O60563 1/20 0.30
CCNK O75909 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
CDK12 Q9NYV4 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30

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
SCHEMBL6494037 0.85 HTR2C (0.77) HTR2CHTR2AHTR2B
SCHEMBL6494032 0.85 HTR2C (0.77) HTR2CHTR2AHTR2B
SCHEMBL6490562 0.85 HTR2C (0.77) HTR2CHTR2AHTR2B
SCHEMBL6492742 0.83 HTR2C (0.46) HTR2CHTR2AHTR2BRAF1
SCHEMBL6502225 0.82 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL6492032 0.82 HTR2C (0.44) HTR2CHTR2AHTR2BSLC6A3
SCHEMBL6499121 0.81 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL6779762 0.80 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL6788497 0.76 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL6500335 0.75 HTR2C (0.46) 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 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.