SCHEMBL4606877

SCHEMBL4606877

CNC1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.61
MTNR1B P49286 4/20 0.61
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
GRIN2B Q13224 5/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
SIGMAR1 Q99720 2/20 0.50
PDPK1 O15530 1/20 0.50
PLAU P00749 1/20 0.50
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29599386 1.00 MTNR1A (0.61) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL823055 1.00 MTNR1A (0.61) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL823057 1.00 MTNR1A (0.61) MTNR1AMTNR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7430755 0.98 MTNR1A (0.59) MTNR1AMTNR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL1026136 0.98 MTNR1A (0.59) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL714537 0.84 SIGMAR1 (0.53) MTNR1AMTNR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL1027335 0.82 SIGMAR1 (0.52) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL7838746 0.79 MTNR1A (0.61) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL459537 0.79 GRIN2B (0.65) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL25909439 0.79 GRIN2B (0.56) MTNR1AMTNR1BMAOAMAOBGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239750-A1 BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS C4 THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS ENYO PHARMA (FR) 2023-10-12 US disclosed
US-20230107499-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-04-06 US disclosed
CN-115348959-A Heteroaryl compounds and their therapeutic use in disorders associated with altered beta-glucocerebrosidase activity 增益治疗股份有限公司 2022-11-15 CN disclosed
EP-4065563-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE Gain Therapeutics SA (CH) 2022-10-05 EP disclosed
EP-2970315-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-09-15 EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 EP disclosed
WO-2021105908-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-0817767-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
US-5272157-A Derivatives of 4-(aminomethyl) piperidine, their preparation and their therapeutic application SYNTHELABO (FR) 1993-12-21 US disclosed
US-5179108-A Antiserotonin agents or cardiovascular disorders SYNTHELABO (FR) 1993-01-12 US disclosed
WO-1992007821-A1 DIASTEREOISOMERS OF BICYCLO-SUBSTITUTED PHENYLACETONITRILE DERIVATIVES G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
EP-0447292-A1 4-Aminomethyl-piperidine derivatives, their preparation and therapeutic application SYNTHELABO (FR) 1991-09-18 EP disclosed
US-4681970-A CARDIOVASCULAR AGENTS G. D. SEARLE & CO. (US) 1987-07-21 US disclosed
US-4593042-A hypotensive agent G. D. SEARLE & CO. (US) 1986-06-03 US disclosed
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 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 (2 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-20230107499-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GBA1, GBA2, GBA3 MTNR1A 2738/4885MTNR1B 1644/4885DRD2 1316/4885
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS TST, TPMT, MMP1 MTNR1A 663/4885MTNR1B 112/4885DRD2 3746/4885

“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.