SCHEMBL6694402

SCHEMBL6694402

O=C1C(Cc2ccccc2N2CCNCC2)CCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 3/20 0.48
HTR3A P46098 2/20 0.45
ROCK2 O75116 4/20 0.45
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAOB P27338 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL1738324 0.89 HTR1A (0.46) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL5160777 0.87 FPR2 (0.46) HTR1ASLC6A2SLC6A4ROCK2FPR1
SCHEMBL5158577 0.87 FPR2 (0.46) HTR1ASLC6A2SLC6A4ROCK2FPR1
SCHEMBL5158579 0.87 FPR2 (0.46) HTR1ASLC6A2SLC6A4ROCK2FPR1
SCHEMBL1738622 0.87 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL2335962 0.87 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL2337750 0.87 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL2339097 0.87 HTR1A (0.45) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL27460761 0.86 FPR2 (0.45) HTR1ASLC6A2SLC6A4ROCK2FPR1
Hydrochloric Acid SCHEMBL6431288 0.85 FPR2 (0.44) HTR1ASLC6A2SLC6A4ROCK2FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113015-B1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PROD INC (US) 2004-09-15 EP disclosed
EP-1113015-B1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PROD INC (US) 2004-09-15 EP disclosed
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PRODUCTS, INC. 2003-05-01 US disclosed
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PRODUCTS, INC. 2003-05-01 US disclosed
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PRODUCTS, INC. 2003-05-01 US disclosed
US-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists PFIZER PRODUCTS INC. 2001-11-08 US disclosed
US-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists PFIZER PRODUCTS INC. 2001-11-08 US disclosed
US-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists PFIZER PRODUCTS INC. 2001-11-08 US disclosed
JP-2001187781-A OPTICALLY ACTIVE 3-[(2-PIPERAZINYLPHENYL) METHYL]-1-[4-(TRIFLUOROMETHYL)PHENYL]-2-PYRROLIDINONE COMPOUND AS 5-HT1D RECEPTOR-SELECTIVE ANTAGONIST PFIZER PROD INC 2001-07-10 JP disclosed
JP-2001187781-A OPTICALLY ACTIVE 3-[(2-PIPERAZINYLPHENYL) METHYL]-1-[4-(TRIFLUOROMETHYL)PHENYL]-2-PYRROLIDINONE COMPOUND AS 5-HT1D RECEPTOR-SELECTIVE ANTAGONIST PFIZER PROD INC 2001-07-10 JP disclosed
EP-1113015-A1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists Pfizer Products Inc. (US) 2001-07-04 EP disclosed
EP-1113015-A1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists Pfizer Products Inc. (US) 2001-07-04 EP disclosed
EP-1113015-A1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists Pfizer Products Inc. (US) 2001-07-04 EP disclosed
EP-1113015-A4 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PROD INC (US) 2001-03-23 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-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists HTR1D, HTR1A, HTR5A HTR1A 2/4885SLC6A2 462/4885SLC6A4 86/4885
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists HTR1D, HTR1A, HTR3D HTR1A 2/4885SLC6A2 544/4885SLC6A4 78/4885

“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.