SCHEMBL4940045

SCHEMBL4940045

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 8/20 0.45
MAOA P21397 7/20 0.45
KDM1A O60341 5/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2B6 P20813 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2A6 P11509 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL4936439 1.00 SLC18A3 (0.47) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL4936419 1.00 SLC18A3 (0.47) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL4936425 1.00 SLC18A3 (0.47) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL4940063 1.00 SLC18A3 (0.47) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL3374875 0.88 CYP1A2 (0.46) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL13069094 0.88 CYP1A2 (0.46) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL3373744 0.88 CYP1A2 (0.46) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL3374873 0.88 CYP1A2 (0.46) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL4029350 0.88 CYP1A2 (0.46) SLC18A3SIGMAR1MAOBMAOAKDM1A
SCHEMBL6073596 0.88 CYP1A2 (0.46) SLC18A3SIGMAR1MAOBMAOAKDM1A

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 5 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-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 SLC18A3 289/4885SIGMAR1 428/4885MAOB 3239/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 SLC18A3 289/4885SIGMAR1 428/4885MAOB 3239/4885

“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.