SCHEMBL5407746

SCHEMBL5407746

CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.51
HTR2C P28335 12/20 0.51
DRD2 P14416 8/20 0.50
CCR3 P51677 7/20 0.48
HTR1A P08908 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A4 P31645 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5407748 1.00 HTR2A (0.51) HTR2AHTR2CDRD2CCR3HTR1A
SCHEMBL5848121 0.84 NPC1 (0.40) HTR2AHTR2CDRD2NPC1RAB9A
SCHEMBL5848322 0.84 NPC1 (0.40) HTR2AHTR2CDRD2NPC1RAB9A
SCHEMBL5848240 0.84 GPR119 (0.42) HTR2AHTR2CDRD2CCR3HTR1A
SCHEMBL5847999 0.84 NPC1 (0.40) HTR2AHTR2CDRD2NPC1RAB9A
SCHEMBL6500633 0.84 USP30 (0.45) HTR2AHTR2CCCR3
SCHEMBL6500634 0.84 USP30 (0.45) HTR2AHTR2CCCR3
SCHEMBL5410521 0.83 HTR2A (0.56) HTR2AHTR2CDRD2CCR3HTR1A
SCHEMBL5415535 0.83 HTR2A (0.56) HTR2AHTR2CDRD2CCR3HTR1A
SCHEMBL5849542 0.83 STS (0.40) HTR2AHTR2CDRD2NPC1RAB9A

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-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 (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-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2A 30/4885HTR2C 2/4885DRD2 16/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HTR2A 6/4885HTR2C 1/4885DRD2 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.