SCHEMBL3194606

SCHEMBL3194606

CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(NC)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.65
▸ OPRD1 P41143 2/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ ADRA2B P18089 1/20 0.65
▸ SLC6A4 P31645 1/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ CHRNA4 P43681 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ KMT2A Q03164 6/20 0.60
▸ MAPT P10636 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ LMNA P02545 1/20 0.60

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
SCHEMBL4223975 1.00 OPRM1 (0.65) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL8055493 1.00 OPRM1 (0.65) OPRM1OPRD1NR1I2CHRM2ADORA3
Maleic Acid SCHEMBL6116431 0.95 KMT2A (0.68) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL25675486 0.91 OPRM1 (0.56) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL3193334 0.89 OPRM1 (0.54) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL14350787 0.87 OPRM1 (0.55) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234741 0.86 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL10300834 0.86 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL10300830 0.86 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234492 0.84 OPRM1 (0.58) OPRM1OPRD1NR1I2CHRM2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 — — EP disclosed
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 — — US disclosed
WO-2018029545-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2018-02-15 — — WO disclosed
EP-2024323-B1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE GICARE PHARMA INC (CA) 2013-03-27 — — EP disclosed
US-7666907-B2 Salts of trimebutine and N-desmethyl trimebutine ANTIBE THERAPEUTICS INC. (CA) 2010-02-23 — — US disclosed
US-7666907-B2 Salts of trimebutine and N-desmethyl trimebutine ANTIBE THERAPEUTICS INC. (CA) 2010-02-23 — — US disclosed
CN-101489986-A Salts of trimebutine and N-desmethyl trimebutine ANTIBE THERAPEUTICS INC (CA) 2009-07-22 — — CN disclosed
EP-2024323-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE Antibe Therapeutics Inc. (US) 2009-02-18 — — EP disclosed
WO-2007140611-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-12-13 — — WO disclosed
WO-2007140611-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-12-13 — — WO disclosed
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-11-29 — — US disclosed
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-11-29 — — US disclosed
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2007-11-29 — — 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 (2 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-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 OPRM1 498/4885OPRD1 290/4885NR1I2 134/4885
US-20070275905-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 OPRM1 389/4885OPRD1 169/4885NR1I2 2954/4885

“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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