SCHEMBL5420156

SCHEMBL5420156

Fc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCCC3)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.54
HTR2A P28223 5/20 0.54
HTR2B P41595 4/20 0.54
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.35
AKT1 P31749 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 2/20 0.33
AKT2 P31751 2/20 0.33
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32
SGK1 O00141 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KB1 P23443 1/20 0.32
PRKCQ Q04759 1/20 0.32
ROCK1 Q13464 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
AKT3 Q9Y243 1/20 0.32

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
SCHEMBL5410546 0.97 HTR2C (0.58) HTR2CHTR2AHTR2BCYP11B2CYP17A1
SCHEMBL5413402 0.87 HTR2C (0.54) HTR2CHTR2AHTR2B
SCHEMBL5412732 0.87 HTR2C (0.54) HTR2CHTR2AHTR2BCYP11B2CYP11B1
SCHEMBL5416862 0.86 HTR2C (0.68) HTR2CHTR2AHTR2BDRD2
SCHEMBL5416860 0.86 HTR2C (0.68) HTR2CHTR2AHTR2BDRD2
SCHEMBL5420912 0.85 HTR2C (0.52) HTR2CHTR2AHTR2BCYP2D6RPS6KB1
SCHEMBL5421452 0.85 HTR2C (0.53) HTR2CHTR2AHTR2B
SCHEMBL5418709 0.84 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2
SCHEMBL6808110 0.84 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL5418244 0.84 HTR2C (0.57) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US claimed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US claimed
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 US claimed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US claimed
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-08-10 US disclosed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US disclosed
EP-1189905-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-29 EP disclosed
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 US disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 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 (3 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-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2C 2/4885HTR2A 30/4885HTR2B 8/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2C 6/4885HTR2A 8/4885HTR2B 1/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HTR2C 1/4885HTR2A 6/4885HTR2B 2/4885

“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.