SCHEMBL21089947

SCHEMBL21089947

COc1ccc(CC(C)NC(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ ACACB O00763 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 4/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ FPR2 P25090 1/20 0.46

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
SCHEMBL25890567 0.79 SLC6A4 (0.66) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL24105648 0.79 SLC6A4 (0.66) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL896368 0.79 SLC6A4 (0.60) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL178622 0.79 SLC6A4 (0.60) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL2958349 0.78 SLC6A4 (0.58) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL21089970 0.78 CYP1A2 (0.61) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL10395444 0.78 SLC6A4 (0.63) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL8260628 0.78 TAAR1 (0.52) SLC6A4SIGMAR1CYP2D6ADRB2ADRB3
SCHEMBL16383872 0.78 SLC6A4 (0.58) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL29410112 0.78 SLC6A4 (0.58) SLC6A4L3MBTL1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
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-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 — — US disclosed
US-10774059-B2 Compositions and methods for the treatment of inflammation CELLIX BIO PRIVATE LIMITED (IN) 2020-09-15 — — 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

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 SLC6A4 399/4885L3MBTL1 4424/4885MEN1 1119/4885
US-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IL1B, IL36G, IL17A SLC6A4 398/4885L3MBTL1 3693/4885MEN1 4256/4885
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 SLC6A4 88/4885L3MBTL1 4880/4885MEN1 3871/4885
US-10774059-B2 Compositions and methods for the treatment of inflammation IL1B, IL36G, IL17A SLC6A4 398/4885L3MBTL1 3693/4885MEN1 4256/4885
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI SLC6A4 65/4885L3MBTL1 4798/4885MEN1 3471/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 SLC6A4 88/4885L3MBTL1 4880/4885MEN1 3871/4885
US-20200190040-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G SLC6A4 399/4885L3MBTL1 4424/4885MEN1 1119/4885
US-20220162171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS APC, LPXN, SCNN1G SLC6A4 399/4885L3MBTL1 4424/4885MEN1 1119/4885

“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.

Send feedback