SCHEMBL5407337

SCHEMBL5407337

COc1ccc(-c2cc3c4c(c2)C2CNCCCC2N4CCC3)c(C(F)(F)F)c1

nearest known ligand 0.93

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.93
HTR2A P28223 12/20 0.93
HTR2B P41595 10/20 0.93
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1E P28566 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
ESR1 P03372 1/20 0.34

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
SCHEMBL5407340 1.00 HTR2C (0.93) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL5426076 0.96 HTR2C (1.00) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL5413099 0.94 HTR2C (0.95) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL5408689 0.91 HTR2C (0.90) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL5413061 0.87 HTR2C (0.83) HTR2CHTR2AHTR2B
SCHEMBL5416619 0.87 HTR2C (0.83) HTR2CHTR2AHTR2B
SCHEMBL5415866 0.85 HTR2A (0.74) HTR2CHTR2AHTR2BESR1
SCHEMBL5410592 0.85 HTR2C (0.79) HTR2CHTR2AHTR2B
SCHEMBL5407367 0.85 HTR2C (0.79) HTR2CHTR2AHTR2B
SCHEMBL6783531 0.84 HTR2C (0.79) 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 9 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-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
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 (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-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.