SCHEMBL10031610

SCHEMBL10031610

CCC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.53
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ SLC15A2 Q16348 1/20 0.51
▸ ITGB2 P05107 3/20 0.47
▸ ICAM1 P05362 3/20 0.47
▸ ITGAL P20701 3/20 0.47
▸ CPB2 Q96IY4 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ HRH4 Q9H3N8 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL25669860 0.91 SLC6A5 (0.54) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL16364168 0.87 CYP3A4 (0.54) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
Carnosine SCHEMBL1160796 0.86 SLC15A2 (0.63) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
Carnosine SCHEMBL1161102 0.86 SLC15A2 (0.63) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
Carnosine SCHEMBL22392772 0.86 SLC15A2 (0.63) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18381283 0.85 SLC6A5 (0.51) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18381307 0.85 CYP3A4 (0.52) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL21089953 0.85 CYP3A4 (0.52) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL16551861 0.85 CYP3A4 (0.52) SLC6A5CYP3A4CYP2D6TSHRCYP2C19
Carnosine SCHEMBL30129832 0.85 SLC15A2 (0.61) SLC6A5CYP3A4CYP2D6TSHRCYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
US-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION CELLIX BIO PRIVATE LTD (IN) 2022-02-17 — — US disclosed
US-11225464-B2 Compositions and methods for the treatment of gastrointestinal polyps CELLIX BIO PRIVATE LIMITED (IN) 2022-01-18 — — US disclosed
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 — — US disclosed
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 — — US disclosed
US-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS CELLIX BIO PRIVATE LIMITED (IN) 2020-06-18 — — US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 — — US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 — — US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 — — US 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 (8 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-11225464-B2 Compositions and methods for the treatment of gastrointestinal polyps APC, LPXN, SCNN1G SLC6A5 282/4885CYP3A4 82/4885CYP2D6 144/4885
US-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IL1B, IL36G, IL17A SLC6A5 819/4885CYP3A4 50/4885CYP2D6 75/4885
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI SLC6A5 100/4885CYP3A4 94/4885CYP2D6 19/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 SLC6A5 360/4885CYP3A4 20/4885CYP2D6 6/4885
US-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G SLC6A5 282/4885CYP3A4 82/4885CYP2D6 144/4885
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G SLC6A5 282/4885CYP3A4 82/4885CYP2D6 144/4885
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG SLC6A5 290/4885CYP3A4 25/4885CYP2D6 34/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 SLC6A5 3159/4885CYP3A4 179/4885CYP2D6 82/4885

“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.

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