SCHEMBL5418449

SCHEMBL5418449

O=C(O)N1CCC2C(C1)c1cc(-c3cccc(Cl)c3Cl)cc3c1N2CCC3

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.40
HTR2A P28223 12/20 0.40
DRD2 P14416 8/20 0.40
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.38
CNR2 P34972 4/20 0.37
CCR3 P51677 1/20 0.35
CNR1 P21554 1/20 0.34
FABP4 P15090 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5418452 1.00 HTR2C (0.40) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5420542 0.97 HTR2A (0.41) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5424161 0.94 CCR3 (0.38) HTR2CHTR2ADRD2CNR2CCR3
SCHEMBL5424164 0.94 CCR3 (0.38) HTR2CHTR2ADRD2CNR2CCR3
SCHEMBL5413112 0.92 HTR2A (0.41) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5415851 0.90 HTR2A (0.42) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5415673 0.89 HTR2C (0.41) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5846999 0.87 HTR2A (0.39) HTR2CHTR2ADRD2HTR2BNPC1
SCHEMBL5420555 0.87 HTR2C (0.42) HTR2CHTR2ADRD2HTR1ADRD4
SCHEMBL5410463 0.86 USP30 (0.37) HTR2CHTR2ADRD2HTR2BCCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 8/4885DRD2 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.