SCHEMBL548053

SCHEMBL548053

COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 1.00
CYP3A4 P08684 2/20 1.00
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2D6 P10635 1/20 1.00
HTR3A P46098 1/20 1.00
KMT2A Q03164 1/20 1.00
GLA P06280 1/20 0.87

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
SCHEMBL29767008 1.00 HTR4 (1.00) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL6836668 0.99 HTR4 (1.00) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL27977233 0.98 HTR4 (0.96) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL29386039 0.93 HTR4 (1.00) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL2579561 0.93 HTR4 (1.00) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL22532550 0.92 HTR4 (0.98) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7357853 0.83 HTR4 (0.98) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL7351188 0.83 HTR4 (1.00) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL194956 0.82 HTR4 (0.98) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7354962 0.82 HTR4 (0.98) HTR4CYP3A4MEN1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385476-B1 COMPOSITION FOR TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS SINAI MEDICAL CENTER (US) 2021-01-27 EP disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
US-20180071285-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-03-15 US disclosed
US-20180071285-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-03-15 US disclosed
EP-2305213-B1 The treatment of small intestinal bacterial overgrowth (SIBO) and SIBO-related conditions CEDARS SINAI MEDICAL CENTER (US) 2017-06-28 EP disclosed
US-20170095543-A1 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2017-04-06 US disclosed
EP-2267445-B1 Methods of detecting small intestinal bacterial overgrowth (SIBO) in a human subject CEDARS SINAI MEDICAL CENTER (US) 2016-08-17 EP disclosed
US-9358276-B2 Methods of diagnosing and treating small intestinal bacterial overgrowth (SIBO) and SIBO-related conditions CEDARS-SINAI MEDICAL CENTER (US) 2016-06-07 US disclosed
US-20060147496-A1 Diagnosis of irritable bowel disorders; fibromyalgia; chronic fatique syndrome; antidepressants; tinnitus; autism; autoimmune disease; Crohn's disease; quantitative analysis of serotonine, bile acid in sample CEDARS-SINAI MEDICAL CENTER (US) 2006-07-06 US disclosed
EP-1385476-A4 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS SINAI MEDICAL CENTER (US) 2006-06-14 EP disclosed
US-7048906-B2 Calibration; administering antiseptic compound CEDARS-SINAI MEDICAL CENTER (US) 2006-05-23 US disclosed
US-20050261344-A1 Treatment of lower urinary tract symptoms associated with overactive bladder in men and women JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 US disclosed
EP-1551394-A1 TREATMENT OF LOWER URINARY TRACT SYMPTOMS ASSOCIATED WITH OVERACTIVE BLADDER IN MEN AND WOMEN JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 EP disclosed
WO-2004017960-A1 TREATMENT OF LOWER URINARY TRACT SYMPTOMS ASSOCIATED WITH OVERACTIVE BLADDER IN MEN AND WOMEN JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO disclosed
EP-1385476-A2 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2004-02-04 EP disclosed
WO-2002083926-A2 METHODS OF DIAGNOSING AND TREATING SMALL INTESTINAL BACTERIAL OVERGROWTH (SIBO) AND SIBO-RELATED CONDITIONS CEDARS-SINAI MEDICAL CENTER (US) 2002-10-24 WO disclosed
US-20020039599-A1 Calibration; administering antiseptic compound NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-04 US disclosed
WO-1995025100-A1 USE OF 4-AMINO-5-CHLORO-2-METHOXYBENZOIC ESTERS AS 5-HT4 AGONISTS SANOFI (FR) 1995-09-21 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 (4 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-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B HTR4 248/4885CYP3A4 1389/4885MEN1 2477/4885
US-20180071285-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B HTR4 248/4885CYP3A4 1389/4885MEN1 2477/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B HTR4 248/4885CYP3A4 1389/4885MEN1 2477/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 HTR4 2871/4885CYP3A4 4631/4885MEN1 4699/4885

“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.