SCHEMBL5410679

SCHEMBL5410679

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
PDK2 Q15119 3/20 0.35
CYP11B2 P19099 2/20 0.34
KMT2A Q03164 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
EIF4E P06730 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MC2R Q01718 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL5410683 1.00 CCR3 (0.40) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5420648 0.95 HTR2C (0.44) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5420645 0.95 HTR2C (0.44) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5428406 0.94 HTR2C (0.42) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5847844 0.88 GPR119 (0.42) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5428350 0.88 HTR2C (0.40) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5428347 0.88 HTR2C (0.40) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5410463 0.85 USP30 (0.37) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5410466 0.85 USP30 (0.37) CCR3HTR2AHTR2CHTR2BPDK2
SCHEMBL5418667 0.85 HTR2A (0.53) CCR3HTR2AHTR2CHTR2BCYP11B2

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 CCR3 1167/4885HTR2A 30/4885HTR2C 2/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B CCR3 1557/4885HTR2A 8/4885HTR2C 6/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B CCR3 791/4885HTR2A 6/4885HTR2C 1/4885

“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.