SCHEMBL4892684

SCHEMBL4892684

O=C(CCl)C1CCCC12C(=O)Nc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
GSK3B P49841 1/20 0.40
IDO1 P14902 2/20 0.40
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
PLK4 O00444 4/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10836894 0.85 OPRM1 (0.39) ALDH1A1OPRM1OPRK1OPRL1GSK3B
SCHEMBL3524191 0.76 ALDH1A1 (0.48) ALDH1A1OPRM1OPRK1OPRL1GSK3B
SCHEMBL3523663 0.74 MEN1 (0.44) ALDH1A1OPRM1OPRK1OPRL1GSK3B
SCHEMBL6402602 0.72 KDM4E (0.36) ALDH1A1OPRM1OPRK1OPRL1HSD17B10
SCHEMBL11642156 0.71 OPRM1 (0.43) ALDH1A1OPRM1OPRK1OPRL1GSK3B
SCHEMBL14487926 0.70 GSK3B (0.50) GSK3BIDO1KMT2ALMNAPLK4
SCHEMBL30715017 0.69 KMT2A (0.59) ALDH1A1GSK3BIDO1MEN1KMT2A
SCHEMBL24447629 0.68 BACE1 (0.67) OPRM1OPRK1OPRL1IDO1LMNA
SCHEMBL24444155 0.68 BACE1 (0.66) OPRM1OPRK1OPRL1LMNAMAPT
SCHEMBL11643883 0.68 OPRM1 (0.45) ALDH1A1OPRM1OPRK1OPRL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 US disclosed
EP-1757292-A1 Method of treating ocd and tic disorders Pfizer Products Inc. (US) 2007-02-28 EP disclosed
EP-1633361-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE Pfizer Products Inc. (US) 2006-03-15 EP disclosed
EP-1626723-A1 TREATMENT OF BIPOLAR DISORDERS AND ASSOCIATED SYMPTOMS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050014764-A1 Method for enhancing cognition using ziprasidone PFIZER INC 2005-01-20 US disclosed
WO-2004100955-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
WO-2004100957-A1 TREATMENT OF BIPOLAR DISORDERS AND ASSOCIATED SYMPTOMS PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
EP-0985414-B1 Medicament for the treatment of glaucoma and ischemic retinopathy PFIZER PROD INC (US) 2003-08-27 EP disclosed
EP-0931547-B1 Piperazinyl-heterocyclic compounds in the treatment of dementia PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6387904-B2 COMPOUND CONTAINING PIPERAZINE RING PFIZER INC 2002-05-14 US disclosed
US-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY HOWARD HARRY R (US) 2002-01-10 US disclosed
US-6245766-B1 USING A PIPERAZINE COMPOUND PFIZER INC 2001-06-12 US disclosed
US-6127373-A Method of treating tourette's syndrome and obsessive compulsive disorder PFIZER INC. (US) 2000-10-03 US disclosed
EP-0985414-A2 Method of treating glaucoma and ischemic retinopathy Pfizer Products Inc. (US) 2000-03-15 EP disclosed
EP-0931547-A1 Piperazinyl-heterocyclic compounds in the treatment of psychiatric conditions Pfizer Products Inc. (US) 1999-07-28 EP disclosed
EP-0901789-A1 Method of treating tourette's syndrome Pfizer Products Inc. (US) 1999-03-17 EP 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-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY ALDH1A2, NDUFB7, PTGS1 ALDH1A1 204/4885OPRM1 2606/4885OPRK1 1757/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 ALDH1A1 1775/4885OPRM1 2394/4885OPRK1 945/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 ALDH1A1 1399/4885OPRM1 1970/4885OPRK1 875/4885

“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.