SCHEMBL690845

SCHEMBL690845

CNC1CN(Cc2ccccc2)CCC1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.57
BCHE P06276 9/20 0.52
BACE1 P56817 8/20 0.52
ALDH1A1 P00352 1/20 0.51
SCN4A P35499 2/20 0.48
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
SIGMAR1 Q99720 1/20 0.46
CXCR4 P61073 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 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
SCHEMBL1993388 1.00 ACHE (0.57) ACHEBCHEBACE1ALDH1A1SCN4A
SCHEMBL20019719 1.00 ACHE (0.57) ACHEBCHEBACE1ALDH1A1SCN4A
SCHEMBL14018259 1.00 ACHE (0.57) ACHEBCHEBACE1ALDH1A1SCN4A
SCHEMBL20019720 1.00 ACHE (0.57) ACHEBCHEBACE1ALDH1A1SCN4A
SCHEMBL12395260 1.00 ACHE (0.57) ACHEBCHEBACE1ALDH1A1SCN4A
SCHEMBL352022 1.00 ACHE (0.57) ACHEBCHEBACE1ALDH1A1SCN4A
Hydrochloric Acid SCHEMBL20597421 0.98 ACHE (0.55) ACHEBCHEBACE1ALDH1A1SCN4A
Hydrochloric Acid SCHEMBL22500017 0.98 ACHE (0.55) ACHEBCHEBACE1ALDH1A1SCN4A
Hydrochloric Acid SCHEMBL2148084 0.98 ACHE (0.55) ACHEBCHEBACE1ALDH1A1SCN4A
Hydrochloric Acid SCHEMBL1373413 0.98 ACHE (0.55) ACHEBCHEBACE1ALDH1A1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221572-A Preparation method of cis-1-benzyl-4-methyl-3-methylamino-piperidine 南京法恩化学有限公司 2024-06-21 CN claimed
CN-114835631-B Preparation method of cis-1-benzyl-4-methyl-3-methylamino-piperidine dihydrochloride 重庆恩联生物科技有限公司 2024-02-13 CN claimed
CN-114835631-A Preparation method of cis-1-benzyl-4-methyl-3-methylamino-piperidine dihydrochloride 重庆恩联生物科技有限公司 2022-08-02 CN claimed
CN-113735860-A Synthesis method of tofacitinib citrate 安徽鼎旺医药有限公司 2021-12-03 CN claimed
CN-111848496-B Preparation method of tofacitinib intermediate amine and double hydrochloride thereof 湖南华纳大药厂手性药物有限公司 2021-10-08 CN claimed
CN-111848496-A Preparation method of tofacitinib intermediate amine and double hydrochloride thereof 湖南华纳大药厂手性药物有限公司 2020-10-30 CN claimed
CN-108610279-B Novel method for synthesizing cis-1-benzyl-3-methylamino-4-methyl-piperidine 江苏苏利精细化工股份有限公司 2020-03-31 CN claimed
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 claimed
US-20190002407-A1 PROCESS FOR THE PREPARATION OF CHIRAL 3-AMINO-PIPERIDINS, USEFUL INTERMEDIATES FOR THE PREPARATION OF TOFACITINIB F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2019-01-03 US claimed
EP-3421455-A1 IMPROVED PROCESS FOR THE PREPARATION OF CHIRAL 3-AMINO-PIPERIDINS, USEFUL INTERMEDIATES FOR THE PREPARATION OF TOFACITINIB F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2019-01-02 EP claimed
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-12227478-B2 Processes for preparing (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine or a salt thereof and processes for preparing tofacitinib using the same YUHAN CORPORATION (KR) 2025-02-18 US disclosed
US-20240279179-A1 SYNTHESIS AND USE OF 1-BENZYL-4-METHYL-5-ALKOXY-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2024-08-22 US disclosed
CN-118221572-A Preparation method of cis-1-benzyl-4-methyl-3-methylamino-piperidine 南京法恩化学有限公司 2024-06-21 CN disclosed
WO-2002096909-A1 OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL) -METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO 2,3-PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS PFIZER PRODUCTS INC. (US) 2002-12-05 WO disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 US disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 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 (6 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-20240279179-A1 SYNTHESIS AND USE OF 1-BENZYL-4-METHYL-5-ALKOXY-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVE JAK1, JAK2, JAK3 ACHE 4715/4885BCHE 3947/4885BACE1 4072/4885
US-12227478-B2 Processes for preparing (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine or a salt thereof and processes for preparing tofacitinib using the same JAK3, JAK1, JAK2 ACHE 4623/4885BCHE 4223/4885BACE1 4459/4885
US-20160102057-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE KDM4D, KDM4A, KDM4C ACHE 725/4885BCHE 869/4885BACE1 3256/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 ACHE 4723/4885BCHE 4352/4885BACE1 3306/4885
US-20190002407-A1 PROCESS FOR THE PREPARATION OF CHIRAL 3-AMINO-PIPERIDINS, USEFUL INTERMEDIATES FOR THE PREPARATION OF TOFACITINIB JAK3, JAK2, JAK1 ACHE 4734/4885BCHE 4586/4885BACE1 4365/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT ACHE 2231/4885BCHE 2944/4885BACE1 338/4885

“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.