SCHEMBL5049374

SCHEMBL5049374

Fc1ccc2onc(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36

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
SCHEMBL7124248 0.84 ACHE (0.41) HTR3AALDH1A1SMN1; SMN2THRBESR1
SCHEMBL6989194 0.79 FAAH (0.51) HTR3AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL30716972 0.76 GRM4 (0.49) HTR3AMAPTALDH1A1TDP1SCD
SCHEMBL2710560 0.76 PIM1 (0.41) MAPTKDM4EALDH1A1SMN1; SMN2GABRP
SCHEMBL2711462 0.76 ESR1 (0.59) MAPTESR1ESR2NPC1RAB9A
SCHEMBL12209283 0.76 GRM4 (0.49) HTR3AMAPTALDH1A1TDP1SCD
SCHEMBL4499993 0.76 MAPT (0.54) MAPTKDM4ETP53TDP1FAAH
SCHEMBL5511112 0.76 ESR1 (0.42) HTR3AMAPTSMN1; SMN2TP53TDP1
SCHEMBL2441701 0.76 HTR3A (0.40) HTR3AALDH1A1GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL5110460 0.74 HTR3A (0.40) HTR3AALDH1A1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345038-B2 Pyridyloxymethyl and benzisoxazole azabicyclic derivatives PFIZER, INC (US) 2008-03-18 US disclosed
EP-1608648-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES Pfizer Products Inc. (US) 2005-12-28 EP disclosed
US-6887905-B2 Treatment of depression or generalized anxiety disorder PFIZER INC (US) 2005-05-03 US disclosed
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine PFIZER INC 2005-02-03 US disclosed
WO-2004081007-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-09-23 WO disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-20030181458-A1 Azabicyclic 5HT1 receptor ligands PFIZER INC. 2003-09-25 US disclosed
EP-1070065-B1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS PFIZER PROD INC (US) 2003-09-03 EP disclosed
US-6525048-B1 Aminomethylphenoxymethyl/benzisoxazole substituted azabicyclic compounds; depression, generalized anxiety disorder, obesity, migraine; 2-(5-Fluoro-benzo(d)isoxazol-3-y)-7-(3-morpholin-4-ylmethylphenoxymethyl) -octahydro-pyrido(1,2-a)pyrazine; PFIZER INC. 2003-02-25 US disclosed
EP-1070065-A1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS Pfizer Products Inc. (US) 2001-01-24 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
WO-1999052907-A1 AZABICYCLIC 5HT1 RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 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 (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-20030181458-A1 Azabicyclic 5HT1 receptor ligands HTR1A, HTR1B, HTR1D HTR3A 11/4885MAPT 3462/4885KDM4E 2244/4885
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine GRM7, GRIN2C, HTR7 HTR3A 29/4885MAPT 871/4885KDM4E 929/4885

“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.