SCHEMBL915092

SCHEMBL915092

COc1cccc2c1CNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.69
PRCP P42785 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CD274 Q9NZQ7 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47

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 SCHEMBL1124672 0.98 PNMT (0.68) PNMTPRCPHRH3HTR2AHTR2C
Acetic Acid SCHEMBL5456076 0.91 PNMT (0.59) PNMTPRCPHRH3HTR2AHTR2C
SCHEMBL506134 0.87 HTR2C (0.60) PNMTHTR2AHTR2CHTR2BDRD2
SCHEMBL31233660 0.86 PNMT (0.56) PNMTHTR2CHTR2BCD274DRD2
SCHEMBL2358135 0.86 PNMT (0.56) PNMTHTR2CHTR2BCD274DRD2
Hydrochloric Acid SCHEMBL506120 0.86 HTR2C (0.58) PNMTHTR2AHTR2CHTR2BDRD2
SCHEMBL5086121 0.85 PNMT (0.61) PNMTPRCPCD274
Hydrochloric Acid SCHEMBL11487923 0.84 PNMT (0.59) PNMTPRCPCD274
Hydrochloric Acid SCHEMBL33527957 0.84 PNMT (0.55) PNMTHTR2CHTR2BCD274DRD2
Hydrochloric Acid SCHEMBL1124611 0.84 PNMT (0.55) PNMTHTR2CHTR2BCD274DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540134-B2 Inhibitors of adrenoreceptor ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2026-02-03 US disclosed
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
WO-2023207911-A1 BICYCLIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND APPLICATION 上海医药集团股份有限公司 2023-11-02 WO disclosed
CN-116925106-A Bicyclic heterocyclic compound, pharmaceutical composition and application 上海医药集团股份有限公司 2023-10-24 CN disclosed
US-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2023-05-18 US disclosed
CN-116082333-A Pyrimidine piperidine FGFR inhibitor and preparation method and application thereof 广西鹭港生物医药科技有限公司 2023-05-09 CN disclosed
US-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4126847-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO Pharma (FR) 2023-02-08 EP disclosed
WO-2022173849-A1 (HETERO)ARYLAMINO-CYCLOHEXYL-SULFONYL DERIVATIVES AS CCR6 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-08-18 WO disclosed
WO-2021213317-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 微境生物医药科技(上海)有限公司 (CN) 2021-10-28 WO disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 US disclosed
US-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses BEAVERS LISA SELSAM (US) 2004-06-10 US disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-1379493-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly and Company (US) 2004-01-14 EP disclosed
WO-2002076925-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2002-10-03 WO disclosed
EP-1171434-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-16 EP disclosed
EP-1131306-A2 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 EP disclosed
US-6245780-B1 PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORP 2001-06-12 US disclosed
WO-2000064886-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 WO disclosed
WO-2000029406-A2 NOVEL ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 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-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER NQO2, NQO1, NDUFV2 PNMT 2451/4885PRCP 2158/4885HRH3 3038/4885
US-12540134-B2 Inhibitors of adrenoreceptor ADRAC2 ADRA2C, ADRB3, ADRB2 PNMT 559/4885PRCP 2970/4885HRH3 115/4885
US-20230115270-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 ADRA2C, ADRB2, ADRB3 PNMT 265/4885PRCP 2938/4885HRH3 55/4885
US-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 PNMT 323/4885PRCP 2232/4885HRH3 216/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS PNMT 2952/4885PRCP 2677/4885HRH3 1748/4885
US-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 PNMT 125/4885PRCP 2953/4885HRH3 1/4885

“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.