SCHEMBL5415767

SCHEMBL5415767

O=C(O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(F)c(F)c3)cc3c1N2CCC3

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.41
HTR2A P28223 13/20 0.41
DRD2 P14416 8/20 0.41
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
CCR3 P51677 2/20 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
SCHEMBL5415700 0.97 HTR2A (0.41) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5413495 0.88 HTR2C (0.39) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5426100 0.87 HTR2A (0.47) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5847751 0.86 NPC1 (0.40) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5410496 0.86 HTR2A (0.38) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5410480 0.86 HTR2A (0.38) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5424114 0.86 HTR2C (0.48) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5418588 0.85 HTR2C (0.38) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5419919 0.85 HTR2A (0.41) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5418344 0.85 HTR2C (0.40) HTR2CHTR2ADRD2HTR1ADRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 30/4885DRD2 16/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2C 6/4885HTR2A 8/4885DRD2 14/4885
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 6/4885DRD2 24/4885

“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.