SCHEMBL4939417

SCHEMBL4939417

c1ccc(CN[C@H]2CCN[C@@H]2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.54
MAOA P21397 2/20 0.54
TACR1 P25103 14/20 0.53
MAOB P27338 1/20 0.48
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4939411 1.00 KDM1A (0.54) KDM1AMAOATACR1MAOBCYP2D6
SCHEMBL4939427 1.00 KDM1A (0.54) KDM1AMAOATACR1MAOBCYP2D6
SCHEMBL4939404 1.00 KDM1A (0.54) KDM1AMAOATACR1MAOBCYP2D6
SCHEMBL4939399 1.00 KDM1A (0.54) KDM1AMAOATACR1MAOBCYP2D6
Bromide SCHEMBL4939395 0.98 KDM1A (0.53) KDM1AMAOATACR1MAOBCYP2D6
Bromide SCHEMBL4939386 0.98 KDM1A (0.53) KDM1AMAOATACR1MAOBCYP2D6
Bromide SCHEMBL4939382 0.98 KDM1A (0.53) KDM1AMAOATACR1MAOBCYP2D6
SCHEMBL9294678 0.91 TACR1 (0.64) TACR1CYP2D6
SCHEMBL5555958 0.91 TACR1 (0.64) TACR1CYP2D6
SCHEMBL9294139 0.91 TACR1 (0.64) TACR1CYP2D6

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 10 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-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-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

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.