SCHEMBL4938744

SCHEMBL4938744

CCOc1ccc2ccccc2c1CN[C@H]1CCN[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
MAOA P21397 1/20 0.53
TACR1 P25103 15/20 0.51
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4938723 1.00 KDM1A (0.53) KDM1AMAOATACR1TSHRNPSR1
SCHEMBL4938731 1.00 KDM1A (0.53) KDM1AMAOATACR1TSHRNPSR1
SCHEMBL6554835 0.83 TACR1 (0.66) KDM1AMAOATACR1
SCHEMBL6554842 0.83 TACR1 (0.66) KDM1AMAOATACR1
SCHEMBL6554828 0.83 TACR1 (0.66) KDM1AMAOATACR1
SCHEMBL4938155 0.77 KDM1A (0.58) KDM1AMAOATACR1
SCHEMBL4938143 0.77 KDM1A (0.58) KDM1AMAOATACR1
SCHEMBL4938138 0.77 KDM1A (0.58) KDM1AMAOATACR1
Hydrochloric Acid SCHEMBL6921305 0.73 TACR1 (0.54) TACR1
SCHEMBL8917898 0.73 TACR1 (0.79) TACR1

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 12 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 claimed
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 claimed
EP-1753718-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES Pfizer Products Incorporated (US) 2007-02-21 EP claimed
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 US claimed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 WO claimed
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 US disclosed
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 US disclosed
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
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
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
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 US 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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 KDM1A 1363/4885MAOA 3154/4885TACR1 33/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 KDM1A 1363/4885MAOA 3154/4885TACR1 33/4885

“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.