SCHEMBL1373575

SCHEMBL1373575

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
SCHEMBL6078747 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-04-14 US claimed
EP-2994454-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-03-16 EP claimed
WO-2015087201-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2015-06-18 WO claimed
US-20220402924-A1 PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF AARTI PHARMALABS LIMITED (IN) 2022-12-22 US disclosed
EP-3539965-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LAB LTD (IN) 2021-01-20 EP disclosed
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2020-11-10 US disclosed
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2020-11-10 US disclosed
US-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine UNICHEM LABORATORIES LIMITED (IN) 2020-11-10 US disclosed
EP-3539965-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2019-09-18 EP disclosed
EP-3539965-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2019-09-18 EP disclosed
EP-3421455-B1 IMPROVED PROCESS FOR THE PREPARATION OF CHIRAL 3-AMINO-PIPERIDINS, USEFUL INTERMEDIATES FOR THE PREPARATION OF TOFACITINIB FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2019-03-27 EP disclosed
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-04-14 US disclosed
EP-2994454-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-03-16 EP disclosed
EP-2994454-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2016-03-16 EP disclosed
WO-2015087201-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2015-06-18 WO disclosed
WO-2015087201-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE UNICHEM LABORATORIES LIMITED (IN) 2015-06-18 WO 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-20110288297-A1 Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis PFIZER, INC. (US) 2011-11-24 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 (5 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-10829450-B2 Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine KDM4D, KDM4A, KDM4C ACHE 687/4885ALDH1A1 2146/4885BCHE 972/4885
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C ACHE 725/4885ALDH1A1 1622/4885BCHE 869/4885
US-20110288297-A1 Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis DPYD, CPS1, TYMS ACHE 4478/4885ALDH1A1 986/4885BCHE 4680/4885
US-20220402924-A1 PROCESS FOR THE PREPARATION OF TOFACITINIB AND INTERMEDIATES THEREOF MCCC2, JAK1, JAK3 ACHE 4509/4885ALDH1A1 3131/4885BCHE 3823/4885

“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.