SCHEMBL5511985

SCHEMBL5511985

CC(C)(C)OC(=O)N1CCc2[nH]c3c([N+](=O)[O-])cccc3c2CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
P2RX3 P56373 1/20 0.44
TRPV1 Q8NER1 2/20 0.42
FAAH O00519 1/20 0.42
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
FBP1 P09467 2/20 0.39
F12 P00748 2/20 0.39
MET P08581 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CFTR P13569 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL5512666 0.94 MAPT (0.53) MAPTALDH1A1LMNAP2RX3TRPV1
SCHEMBL3867002 0.80 LMNA (0.56) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL6096546 0.79 ALDH1A1 (0.53) MAPTALDH1A1LMNAP2RX3PARP1
SCHEMBL29826209 0.78 TRPV1 (0.49) TRPV1FAAHPARP1TNKS2PARP2
SCHEMBL1845995 0.78 CTSK (0.51) MAPTLMNATRPV1PARP1TNKS2
SCHEMBL6474214 0.78 LMNA (0.60) MAPTLMNATRPV1FAAHBAZ2B
SCHEMBL21588274 0.78 TRPV1 (0.48) TRPV1FAAHPARP1TNKS2PARP2
SCHEMBL21154244 0.78 CFTR (0.56) MAPTLMNAPARP1TNKS2PARP2
SCHEMBL1841280 0.78 LMNA (0.46) MAPTLMNATRPV1PARP1TNKS2
SCHEMBL5510072 0.78 F12 (0.47) MAPTLMNAPARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39680-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-7183282-B2 Substituted heterocycle fused γ-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-27 US disclosed
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-07-06 US disclosed
US-7071186-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2006-07-04 US disclosed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US disclosed
EP-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP disclosed
US-20040034015-A1 Substituted heterocycle fused gamma-carbolines ROBICHAUD ALBERT J (US) 2004-02-19 US disclosed
US-6552017-B1 As serotonin agonists and antagonists and are useful in the control or prophylaxis of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 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-20040034015-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 MAPT 4115/4885ALDH1A1 704/4885LMNA 1683/4885
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines HTR2B, HTR1B, HTR3B MAPT 4230/4885ALDH1A1 1399/4885LMNA 1208/4885
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 MAPT 4115/4885ALDH1A1 704/4885LMNA 1683/4885

“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.