Sugi Predict

Sugi Predict / Compounds / SCHEMBL3374873

SCHEMBL3374873

SCHEMBL3374873

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 3/20 0.44
▸ SLC18A3 Q16572 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ TACR1 P25103 6/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3373744 1.00 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL3374875 1.00 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL4029350 1.00 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL6073596 1.00 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL13069094 1.00 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C19KDM4ENPC1
Hydrochloric Acid SCHEMBL6074237 0.98 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19KDM4ENPC1
Hydrochloric Acid SCHEMBL6074501 0.98 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19KDM4ENPC1
Hydrochloric Acid SCHEMBL9028496 0.98 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19KDM4ENPC1
Hydrochloric Acid SCHEMBL27578380 0.98 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19KDM4ENPC1
SCHEMBL4936425 0.88 SLC18A3 (0.47) CYP1A2CYP2D6CYP2C19TSHRSLC18A3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554247-A2 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-PHENYL-3-AMINOPIPERIDINE Pfizer Products Inc. (US) 2005-07-20 — — EP claimed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 — — EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 — — US claimed
WO-2004037174-A2 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-PHENYL-3-AMINOPIPERIDINE PFIZER PRODUCTS, INC. (US) 2004-05-06 — — WO claimed
EP-0700384-B1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1997-07-16 — — EP claimed
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 — — EP claimed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 — — WO claimed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 — — US disclosed
EP-1545525-B1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-11-10 — — EP disclosed
EP-1119356-B1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-08-19 — — EP disclosed
US-7354935-B2 Radiolabeled neurokinin-1 receptor antagonists MERCK & CO. INC. (US) 2008-04-08 — — US disclosed
US-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 — — US disclosed
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 — — EP disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 — — EP disclosed
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 — — EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 — — WO disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 — — WO disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 — — WO disclosed
EP-0581777-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1994-02-09 — — EP disclosed
WO-1992017449-A1 STEREOSELECTIVE PREPARATION OF SUBSTITUTED PIPERIDINES PFIZER INC. (US) 1992-10-15 — — 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CYP1A2 3767/4885CYP2D6 1211/4885CYP2C19 2197/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI CYP1A2 2543/4885CYP2D6 2855/4885CYP2C19 3301/4885

“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.