SCHEMBL5428347

SCHEMBL5428347

O=C(O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(Cl)cc3Cl)cc3c1N2CC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MGLL Q99685 1/20 0.35
DPP4 P27487 1/20 0.34
NOTUM Q6P988 1/20 0.34
CCR3 P51677 6/20 0.34
HTR2A P28223 3/20 0.34
HTR2B P41595 1/20 0.34
SRD5A2 P31213 1/20 0.33
DRD2 P14416 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL5428350 1.00 HTR2C (0.40) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5413374 0.94 HTR2C (0.42) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5426062 0.93 HTR2C (0.42) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5413192 0.92 GHSR (0.35) HTR2CDPP4NOTUMCCR3HTR2A
SCHEMBL6807105 0.92 GHSR (0.35) HTR2CDPP4NOTUMCCR3HTR2A
SCHEMBL5413163 0.90 CCR3 (0.36) HTR2CDPP4CCR3HTR2AHTR2B
SCHEMBL5410466 0.89 USP30 (0.37) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5410463 0.89 USP30 (0.37) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5410679 0.88 CCR3 (0.40) HTR2CPDK2CCR3HTR2AHTR2B
SCHEMBL5420008 0.88 HTR2C (0.46) HTR2CPDK1PDK2PDK3PDK4

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-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-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 2/4885PDK1 4572/4885PDK2 3707/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2C 6/4885PDK1 4747/4885PDK2 4200/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HTR2C 1/4885PDK1 4805/4885PDK2 3818/4885

“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.