SCHEMBL4939724

SCHEMBL4939724

O=Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.53
SLC6A4 P31645 13/20 0.53
KCNH2 Q12809 12/20 0.53
EPAS1 Q99814 2/20 0.44
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN9A Q15858 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMO O15229 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL274702 0.84 LMNA (0.52) EPAS1KMT2ACYP2C19ALDH1A1CYP1A2
SCHEMBL5321373 0.83 LMNA (0.61) HTR2ASLC6A4KCNH2KMT2ACYP3A4
SCHEMBL2881823 0.82 HTR2A (0.53) HTR2ASLC6A4KCNH2EPAS1ALDH1A1
SCHEMBL18570625 0.81 SCN8A (0.50) SLC6A4EPAS1CYP2C19ALDH1A1CYP1A2
SCHEMBL5837555 0.81 HTR2A (0.56) HTR2ASLC6A4KCNH2EPAS1KMT2A
SCHEMBL19563651 0.80 LMNA (0.43) HTR2ASLC6A4KCNH2EPAS1KMT2A
SCHEMBL6151744 0.78 KMT2A (0.46) HTR2ASLC6A4KCNH2EPAS1KMT2A
SCHEMBL5837334 0.78 HTR2A (0.57) HTR2ASLC6A4KCNH2KMO
SCHEMBL275895 0.78 ALDH1A1 (0.66) KMT2ACYP2C19ALDH1A1CYP1A2MAPT
SCHEMBL12437574 0.78 KMT2A (0.46) EPAS1KMT2ACYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 US disclosed
US-7381741-B2 In which the amino is substituted by arylmethyl- or heteroarylmethyl- group, e.g., 2-Methoxybenzyl)-(2-phenylpyrrolidin-3-yl)-amine and 5-{[2-(3-Chloro-phenyl)-pyrrolidin-3-ylamino]-methyl}-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-3-aza-cyclopropa[a]naphalen-2-one; neurokinin 1 (Substance P) inhititors PFIZER INC (US) 2008-06-03 US disclosed
EP-1753718-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES Pfizer Products Incorporated (US) 2007-02-21 EP disclosed
US-7084165-B2 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC (US) 2006-08-01 US disclosed
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 US disclosed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC 2004-03-11 US disclosed
US-6677378-B2 AS SEROTONIN, NOREPINEPHRINE AND DOPAMINE REUPTAKE INHIBITORS, FOR THERAPY OF CENTRAL NERVOUS SYSTEM AND OTHER DISORDERS PFIZER INC. 2004-01-13 US disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 HTR2A 1153/4885SLC6A4 895/4885KCNH2 18/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 HTR2A 1153/4885SLC6A4 895/4885KCNH2 18/4885
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A4, SLC6A3 HTR2A 24/4885SLC6A4 2/4885KCNH2 1224/4885
US-20040048856-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A3, SLC18A2 HTR2A 14/4885SLC6A4 4/4885KCNH2 1492/4885

“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.