SCHEMBL2180441

SCHEMBL2180441

c1ccc(CN2CCC3OC3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.54
BCHE P06276 5/20 0.54
BACE1 P56817 5/20 0.54
CCR3 P51677 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
DRD4 P21917 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL22455021 0.91 ACHE (0.65) ACHEBCHEBACE1CCR3ALDH1A1
SCHEMBL2114892 0.87 FUCA1 (0.58) ACHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11337029 0.87 FUCA1 (0.58) ACHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11337025 0.87 FUCA1 (0.58) ACHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21812106 0.85 SIGMAR1 (0.50) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL2177485 0.83 ACHE (0.57) ACHECCR3CYP1A2CYP3A4CYP2D6
SCHEMBL2181082 0.81 SIGMAR1 (0.57) CCR3CYP1A2CYP3A4CYP2D6CYP2C19
Oxalic Acid SCHEMBL10839785 0.79 S1PR5 (0.55) ALDH1A1SIGMAR1
SCHEMBL15104970 0.79 ACHE (0.54) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL14671974 0.79 ACHE (0.54) ACHEBCHEBACE1CCR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076459-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-04-29 EP disclosed
US-12595248-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-04-07 US disclosed
US-12595262-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2026-04-07 US disclosed
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230108452-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP 2023-04-06 US disclosed
US-20230108114-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-06 US disclosed
EP-4077282-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
EP-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 US disclosed
WO-2014108168-A1 PIPERIDINYLCARBAZOLE AS ANTIMALARIAL MERCK PATENT GMBH (DE) 2014-07-17 WO disclosed
WO-2013185082-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN IDEC MA INC. (US) 2013-12-12 WO disclosed
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 US disclosed
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 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 (9 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-12595248-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT6 ACHE 4595/4885BCHE 2681/4885BACE1 3015/4885
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 ACHE 4336/4885BCHE 4162/4885BACE1 3020/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA ACHE 3607/4885BCHE 3233/4885BACE1 1636/4885
US-12595262-B2 PRMT5 inhibitors PRMT1, PRMT5, CARM1 ACHE 4745/4885BCHE 2052/4885BACE1 3359/4885
US-20230108452-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 ACHE 3440/4885BCHE 851/4885BACE1 3492/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA ACHE 3330/4885BCHE 3011/4885BACE1 1553/4885
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL RPS27L, OSGEP, RPLP1 ACHE 2026/4885BCHE 4155/4885BACE1 4052/4885
US-20230108114-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 ACHE 3205/4885BCHE 1013/4885BACE1 2546/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 ACHE 3409/4885BCHE 4079/4885BACE1 2080/4885

“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.