SCHEMBL2664692

SCHEMBL2664692

OC1CNCCC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.60
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR1A P08908 1/20 0.53
AKT1 P31749 3/20 0.46
KCNH2 Q12809 1/20 0.45
RPS6KB1 P23443 1/20 0.45
HTR6 P50406 1/20 0.43
IDH2 P48735 1/20 0.43
TACR1 P25103 2/20 0.40

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
Hydrochloric Acid SCHEMBL6961922 0.99 HTR2C (0.61) HTR2CHTR2AHTR2BHTR1AAKT1
Bicarbonate SCHEMBL7446322 0.95 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1AAKT1
SCHEMBL26515976 0.83 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AAKT1
SCHEMBL23873173 0.83 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AAKT1
SCHEMBL26115367 0.83 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AAKT1
SCHEMBL6827407 0.82 HTR2C (0.56) HTR2CAKT1KCNH2
Hydrochloric Acid SCHEMBL6439125 0.82 HTR2C (0.61) HTR2CHTR2AHTR2BHTR1AAKT1
Hydrochloric Acid SCHEMBL6439127 0.82 HTR2C (0.61) HTR2CHTR2AHTR2BHTR1AAKT1
SCHEMBL17474595 0.81 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1AAKT1
Hydrochloric Acid SCHEMBL4727677 0.81 HTR2C (0.57) HTR2CAKT1KCNH2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP disclosed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US disclosed
CN-1812790-A 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor WYETH CORP (US) 2006-08-02 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US disclosed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 WO disclosed
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO 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 (4 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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 HTR2C 4362/4885HTR2A 4207/4885HTR2B 3054/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 HTR2C 4439/4885HTR2A 3829/4885HTR2B 3752/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HTR2C 2451/4885HTR2A 1428/4885HTR2B 1359/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 HTR2C 4322/4885HTR2A 3805/4885HTR2B 3725/4885

“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.