SCHEMBL5413402

SCHEMBL5413402

Clc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.54
HTR2B P41595 10/20 0.54
HTR2A P28223 6/20 0.54
HTR3A P46098 1/20 0.35
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 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
SCHEMBL5418244 0.97 HTR2C (0.57) HTR2CHTR2BHTR2AHTR3AADRB1
SCHEMBL6808110 0.97 HTR2C (0.57) HTR2CHTR2BHTR2AHTR3AADRB1
SCHEMBL5421452 0.91 HTR2C (0.53) HTR2CHTR2BHTR2A
SCHEMBL5420912 0.89 HTR2C (0.52) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL5418709 0.89 HTR2C (0.51) HTR2CHTR2BHTR2A
SCHEMBL5410538 0.88 HTR2C (0.56) HTR2CHTR2BHTR2A
SCHEMBL5410904 0.88 HTR2C (0.57) HTR2CHTR2BHTR2AADRB1HTR1A
SCHEMBL5420294 0.88 HTR2C (0.55) HTR2CHTR2BHTR2AADRB1HTR1A
SCHEMBL5420156 0.87 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL5405454 0.86 HTR2C (0.55) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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 2/4885HTR2B 8/4885HTR2A 30/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2C 6/4885HTR2B 1/4885HTR2A 8/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HTR2C 1/4885HTR2B 2/4885HTR2A 6/4885

“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.