SCHEMBL5405461

SCHEMBL5405461

FC(F)(F)c1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCCC3)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.62
HTR2A P28223 8/20 0.62
HTR2B P41595 7/20 0.62
MAP3K12 Q12852 1/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACP1 P24666 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL5410687 0.97 HTR2C (0.66) HTR2CHTR2AHTR2BMAP3K12KCNH2
SCHEMBL5410691 0.97 HTR2C (0.66) HTR2CHTR2AHTR2BMAP3K12KCNH2
SCHEMBL5410508 0.94 HTR2C (0.58) HTR2CHTR2AHTR2BKCNH2ACP1
SCHEMBL5410506 0.94 HTR2C (0.58) HTR2CHTR2AHTR2BKCNH2ACP1
SCHEMBL5410890 0.90 HTR2C (0.73) HTR2CHTR2AHTR2BMAP3K12KCNH2
SCHEMBL5410904 0.88 HTR2C (0.57) HTR2CHTR2AHTR2BKCNH2KMT2A
SCHEMBL5421902 0.87 HTR2C (0.77) HTR2CHTR2AHTR2BKCNH2MEN1
SCHEMBL5419997 0.85 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL5428397 0.85 HTR2C (0.61) HTR2CHTR2AHTR2BKCNH2KMT2A
SCHEMBL5637184 0.84 HTR2C (0.63) HTR2CHTR2AHTR2BKCNH2MEN1

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.