SCHEMBL347648

SCHEMBL347648

COC(=O)c1ccc2c(-c3ccccc3Cl)cn(-c3ccc(C)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 18/20 0.58
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45

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
SCHEMBL20166496 0.90 DGAT2 (0.70) DGAT2
SCHEMBL347945 0.88 DGAT2 (0.54) DGAT2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20166313 0.79 DGAT2 (0.65) DGAT2
SCHEMBL346584 0.79 DGAT2 (0.65) DGAT2
SCHEMBL20166560 0.76 DGAT2 (0.65) DGAT2
SCHEMBL346686 0.74 DGAT2 (0.56) DGAT2
SCHEMBL20180470 0.74 DGAT2 (1.00) DGAT2
SCHEMBL19773478 0.73 DGAT2 (0.88) DGAT2
SCHEMBL6255106 0.73 PDK2 (0.50)
SCHEMBL20180580 0.72 DGAT2 (0.64) DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO 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 (1 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 DGAT2 3948/4885TUBB4A 2711/4885TUBB 3369/4885

“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.