SCHEMBL3065294

SCHEMBL3065294

CCC(=O)NCCC1CCc2ccc3c(c21)OCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 1.00
MTNR1B P49286 20/20 1.00
ABCB11 O95342 1/20 0.78
SIGMAR1 Q99720 1/20 0.78
USP2 O75604 1/20 0.78
NQO2 P16083 2/20 0.55

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
SCHEMBL3059045 0.91 MTNR1A (0.83) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3069652 0.91 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL6810066 0.88 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL6810063 0.88 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL29827337 0.87 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL1566122 0.87 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29237 0.87 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL338730 0.87 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29380213 0.87 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL4685783 0.84 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
US-8183285-B2 Therapeutic agent for irritable bowel syndrome and methods thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-22 US disclosed
US-20100331402-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-30 US disclosed
EP-2248808-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER Takeda Pharmaceutical Company Limited (JP) 2010-11-10 EP disclosed
US-20100267821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20090048325-A1 Prophylactic or Therapeutic Agent for Irritable Bowel Syndrome TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1997488-A1 AGENT FOR PREVENTION/TREATMENT OF IRRITABLE BOWEL SYNDROME Takeda Pharmaceutical Company Limited (JP) 2008-12-03 EP 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-20100267821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME HRH4, HRH2, HRH3 MTNR1A 21/4885MTNR1B 34/4885ABCB11 1325/4885
US-20090048325-A1 Prophylactic or Therapeutic Agent for Irritable Bowel Syndrome HRH4, HRH2, HRH3 MTNR1A 21/4885MTNR1B 34/4885ABCB11 1325/4885
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT MTNR1A 99/4885MTNR1B 56/4885ABCB11 1696/4885
US-20100331402-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT MTNR1A 99/4885MTNR1B 56/4885ABCB11 1696/4885

“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.