SCHEMBL227339

SCHEMBL227339

CCOC(=O)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.50
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
PARP14 Q460N5 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL227338 1.00 SMYD3 (0.50) SMYD3GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL229869 0.98 SMYD3 (0.49) SMYD3GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL29624923 0.98 SMYD3 (0.49) SMYD3GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL229870 0.98 SMYD3 (0.49) SMYD3GAAMGAMSIMGAM2
SCHEMBL2721040 0.90
SCHEMBL22776971 0.89 SMYD3 (0.44) SMYD3GAAMGAMSIMGAM2
SCHEMBL8283938 0.85 PLG (0.44) SMYD3GAAMGAMSIMGAM2
SCHEMBL14389978 0.84 MGAM (0.44) SMYD3GAAMGAMSIMGAM2
SCHEMBL14389976 0.84 MGAM (0.44) SMYD3GAAMGAMSIMGAM2
SCHEMBL3036111 0.82 MGAM (0.43) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696691-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Huilun Pharmaceutical Co., Ltd. (CN) 2026-02-18 EP disclosed
EP-4402276-A1 PROCESS TO PRODUCE (1 R, 4 R)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES Richter Gedeon Nyrt. (HU) 2024-07-24 EP disclosed
CN-118043471-A Process for the production of (1 r,4 r) -4-substituted cyclohexane-1-amines 吉瑞工厂 2024-05-14 CN disclosed
WO-2023042081-A1 PROCESS TO PRODUCE (1r,4r)-4-SUBSTITUTED CYCLOHEXANE-1-AMINES RICHTER GEDEON NYRT. (HU) 2023-03-23 WO disclosed
US-20220324803-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS INC (US) 2022-10-13 US disclosed
EP-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 EP disclosed
CN-114206866-A Prostaglandin E2Receptor 4 antagonists and uses thereof 泰昂治疗公司 2022-03-18 CN disclosed
US-20200375983-A1 A PROCESS FOR THE PREPARATION OF CARIPRAZINE HYDROCHLORIDE AUROBINDO PHARMA LTD (IN) 2020-12-03 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
WO-2020034946-A1 METHOD FOR PREPARING CYCLOHEXANE DERIVATIVE 浙江京新药业股份有限公司 2020-02-20 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
US-5977110-A Substituted cyclohexylamines as central nervous systems agents WARNER-LAMBERT COMPANY (US) 1999-11-02 US disclosed
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 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 (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-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C SMYD3 1006/4885GAA 4680/4885MGAM 4870/4885
US-20220324803-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF PTGER4, PTGER1, PTGER2 SMYD3 4564/4885GAA 4569/4885MGAM 4490/4885
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 SMYD3 4024/4885GAA 1346/4885MGAM 1176/4885
US-20200375983-A1 A PROCESS FOR THE PREPARATION OF CARIPRAZINE HYDROCHLORIDE ADRA2A, ADRA2C, HDAC2 SMYD3 1963/4885GAA 640/4885MGAM 1275/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 SMYD3 4451/4885GAA 27/4885MGAM 1755/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A SMYD3 1748/4885GAA 1092/4885MGAM 1546/4885

“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.