SCHEMBL3776967

SCHEMBL3776967

CC(=O)N1CCCN(C(=O)OCCCN2[C@@H]3CC[C@H]2C[C@@H](NC(=O)n2c(=O)n(C(C)C)c4ccccc42)C3)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.51
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR3A P46098 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
SCHEMBL3776969 1.00 HTR4 (0.51) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3767664 0.98 HTR4 (0.52) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3767662 0.98 HTR4 (0.52) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3883676 0.90 HTR4 (0.51) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3883680 0.90 HTR4 (0.51) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3768023 0.90 HTR4 (0.51) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3883684 0.90 HTR4 (0.51) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3768025 0.90 HTR4 (0.51) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3844694 0.89 HTR4 (0.56) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL8258931 0.89 HTR4 (0.56) HTR4TMEM97SIGMAR1HTR3A

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-7851467-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-12-14 US claimed
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-04-17 US claimed
US-7329752-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-02-12 US claimed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 US claimed
US-7851467-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-12-14 US disclosed
EP-1960396-B1 CARBAMATE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2009-11-11 EP disclosed
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-04-17 US disclosed
US-7329752-B2 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-02-12 US disclosed
US-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2007-05-24 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-20070117796-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B HTR4 1/4885TMEM97 827/4885SIGMAR1 219/4885
US-20080090811-A1 Carbamate compounds as 5-HT4 receptor agonists HTR4, HTR1A, HTR2B HTR4 1/4885TMEM97 827/4885SIGMAR1 219/4885

“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.