SCHEMBL6078747

SCHEMBL6078747

C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CN

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.57
ALDH1A1 P00352 1/20 0.51
BCHE P06276 7/20 0.49
BACE1 P56817 5/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCR3 P51677 1/20 0.47
CCR5 P51681 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
MC4R P32245 1/20 0.44

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
SCHEMBL691150 1.00 ACHE (0.57) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL1373575 1.00 ACHE (0.57) ACHEALDH1A1BCHEBACE1CYP1A2
Hydrochloric Acid SCHEMBL2321039 0.98 ACHE (0.55) ACHEALDH1A1BCHEBACE1CYP1A2
Hydrochloric Acid SCHEMBL1373406 0.98 ACHE (0.55) ACHEALDH1A1BCHEBACE1CYP1A2
Hydrochloric Acid SCHEMBL18124367 0.98 ACHE (0.55) ACHEALDH1A1BCHEBACE1CYP1A2
Hydrochloric Acid SCHEMBL1373403 0.98 ACHE (0.55) ACHEALDH1A1BCHEBACE1CYP1A2
Hydrochloric Acid SCHEMBL18124366 0.98 ACHE (0.55) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL8224846 0.89 ACHE (0.58) ACHEALDH1A1BCHEBACE1CYP1A2
SCHEMBL500305 0.86 GBA1 (0.49) ACHECCR5SIGMAR1DRD2DRD4
SCHEMBL500306 0.86 GBA1 (0.49) ACHECCR5SIGMAR1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755624-A Synthetic method of piperidine derivative LANZHOU BOC CHEMICAL CO LTD 2014-04-30 CN disclosed
US-8309716-B2 Pyrrolo[2,3-d]pyrimidine derivatives: their intermediates and synthesis PFIZER INC. (US) 2012-11-13 US disclosed
US-20120259115-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES: THEIR INTERMEDIATES AND SYNTHESIS PFIZER INC. (US) 2012-10-11 US disclosed
US-8232394-B2 Pyrrolo[2,3-d]pyrimidine derivatives; their intermediates and synthesis PFIZER INC. (US) 2012-07-31 US disclosed
US-7084277-B2 Reacting 1-alkoxycarbonyl-3-oxo piperidine compound with an amine; reducing with reducing agent PFIZER INC. (US) 2006-08-01 US disclosed
EP-1572649-A2 3-AMINO-PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Pfizer Products Inc. (US) 2005-09-14 EP disclosed
WO-2004046112-A2 3-AMINO-PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION PFIZER PRODUCTS INC. (US) 2004-06-03 WO disclosed
US-20040102627-A1 3-Amino-piperadine derivatives and methods of manufacture PFIZER INC. 2004-05-27 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-20120259115-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES: THEIR INTERMEDIATES AND SYNTHESIS DPYD, CPS1, TYMS ACHE 4467/4885ALDH1A1 973/4885BCHE 4683/4885
US-20040102627-A1 3-Amino-piperadine derivatives and methods of manufacture PRMT5, SRM, CYP1B1 ACHE 1771/4885ALDH1A1 12/4885BCHE 965/4885

“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.