SCHEMBL5793078

SCHEMBL5793078

CC(=O)N1CCc2ccc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 1.00
HSD17B3 P37058 2/20 0.68
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
XIAP P98170 1/20 0.53
BIRC2 Q13490 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
TP53 P04637 1/20 0.50
CYP11B2 P19099 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
SCHEMBL5795715 1.00 NOTUM (1.00) NOTUMHSD17B3DRD2DRD4LMNA
SCHEMBL5009163 0.87 NOTUM (1.00) NOTUMHSD17B3ALDH1A1CYP11B2
SCHEMBL4111792 0.85 NOTUM (0.73) NOTUMHSD17B3DRD2DRD4KMT2A
SCHEMBL21425060 0.85 NOTUM (0.73) NOTUMHSD17B3DRD2DRD4KMT2A
SCHEMBL16600474 0.83 NOTUM (0.71) NOTUMHSD17B3DRD2DRD4KMT2A
SCHEMBL20348525 0.83 NOTUM (0.70) NOTUMHSD17B3DRD2DRD4LMNA
SCHEMBL429841 0.81 NOTUM (0.76) NOTUMDRD2DRD4LMNAKMT2A
SCHEMBL8141492 0.81 NOTUM (0.69) NOTUMHSD17B3DRD2LMNAPKM
SCHEMBL8895360 0.81 NOTUM (0.68) NOTUMHSD17B3DRD2DRD4LMNA
SCHEMBL11224906 0.81 NOTUM (0.68) NOTUMHSD17B3DRD2DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 EP disclosed
EP-2903615-B1 5-PYRIDIN-3-YL-2,3-DIHYDRO-1H-INDOLE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2) INHIBITORS FOR THE TREATMENT OF HYPERTENSION MERCK SHARP & DOHME (US) 2021-04-07 EP disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 US disclosed
US-9745282-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP (US) 2017-08-29 US disclosed
US-9745282-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP (US) 2017-08-29 US disclosed
US-9745282-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP (US) 2017-08-29 US disclosed
US-9550750-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9550750-B2 Indoline compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2015-08-13 US disclosed
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2015-08-13 US disclosed
EP-2903615-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITIORS RELATED APPLICATIONS Merck Sharp & Dohme Corp. (US) 2015-08-12 EP disclosed
WO-2014055595-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITIORS RELATED APPLICATIONS MERCK SHARP & DOHME CORP. (US) 2014-04-10 WO disclosed
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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 (3 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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX NOTUM 590/4885HSD17B3 1245/4885DRD2 4268/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 NOTUM 83/4885HSD17B3 165/4885DRD2 3504/4885
US-20150225365-A1 INDOLINE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, HSD11B1 NOTUM 525/4885HSD17B3 10/4885DRD2 3365/4885

“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.