SCHEMBL83687

SCHEMBL83687

c1ccc(CCCN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.86
LTA4H P09960 1/20 0.83
HRH3 Q9Y5N1 1/20 0.75
SLC6A3 Q01959 1/20 0.74
GRIN2B Q13224 2/20 0.70
POLB P06746 1/20 0.68
CCR3 P51677 1/20 0.62

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
Hydrochloric Acid SCHEMBL8037018 0.98 SIGMAR1 (0.83) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
Ammonia Solution, Strong SCHEMBL28704893 0.98 SIGMAR1 (0.83) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL5302082 0.98 LTA4H (0.86) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL113897 0.94 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL10601122 0.94 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL20382580 0.94 LTA4H (0.86) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
Hydrochloric Acid SCHEMBL7239522 0.94 LTA4H (0.80) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL8091557 0.92 SIGMAR1 (1.00) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL492561 0.92 SIGMAR1 (1.00) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL8935099 0.92 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150963-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 광주과학기술원 2024-07-18 WO claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
WO-2024150963-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 광주과학기술원 2024-07-18 WO disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
US-20220111367-A1 HYDROGENATION CATALYST FOR USE IN HYDROGENATING AMIDE COMPOUND AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME OSAKA UNIVERSITY (JP) 2022-04-14 US disclosed
EP-2867207-B1 PHENOXYETHYL PIPERIDINE COMPOUNDS LILLY CO ELI (US) 2017-08-09 EP disclosed
US-8268873-B2 Use of 1-Cyanobutan-2-yl-1-[3-[3-[3-methoxy-4-(oxazol-5-yl)phenyl]ureido]phenyl] ethylcarbamate, AVN 944, VX-944 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8129409-B2 Piperidine derivatives and cosmetic compositions thereof L'OREAL (FR) 2012-03-06 US disclosed
US-7943593-B2 Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitors comprising a substituted carbamate-functional N,N'-diphenylurea of given formula; and an apoptosis-inducing anticancer agent such as methotrexate in a synergistic mixture; treating cancer, tumors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-17 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed
EP-0452267-A1 Heterocyclic compounds CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
EP-0174565-B1 PIPERIDINE DERIVATIVES AND FUNGICIDAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR COMBATING FUNGI BASF Aktiengesellschaft (DE) 1989-10-25 EP disclosed
US-4673683-A Fungicidal piperidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1987-06-16 US disclosed
EP-0174565-A2 Piperidine derivatives and fungicidal compositions containing them, and process for combating fungi BASF Aktiengesellschaft (DE) 1986-03-19 EP disclosed
EP-0031885-B1 BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1984-06-27 EP 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 (1 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-20220111367-A1 HYDROGENATION CATALYST FOR USE IN HYDROGENATING AMIDE COMPOUND AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME SUV39H2, SUV39H1, HRH3 SIGMAR1 1530/4885LTA4H 3510/4885HRH3 3/4885

“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.