SCHEMBL347414

SCHEMBL347414

C[C@@H](c1nnc[nH]1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
OPRD1 P41143 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL22370925 0.79 MEN1 (0.48) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL13583854 0.73 MEN1 (0.39) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL1701279 0.71 KMT2A (0.76) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL4955854 0.69 MEN1 (0.61) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL19349131 0.69 MEN1 (0.61) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL347471 0.69 MEN1 (0.46) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL1336080 0.68 CYP2C9 (0.52) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL15011977 0.67 MEN1 (0.59) MEN1KMT2AATMALDH1A1LMNA
Carbamic Acid SCHEMBL7116890 0.67 KMT2A (0.69) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL14990788 0.67 MEN1 (0.59) MEN1KMT2AATMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2215048-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-10-28 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
EP-2358371-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-02-11 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8461185-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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 (6 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MEN1 4860/4885KMT2A 4191/4885ATM 4263/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 MEN1 4860/4885KMT2A 4191/4885ATM 4263/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MEN1 4852/4885KMT2A 4097/4885ATM 4169/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MEN1 4852/4885KMT2A 4097/4885ATM 4169/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MEN1 4860/4885KMT2A 4191/4885ATM 4263/4885
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MEN1 4860/4885KMT2A 4191/4885ATM 4263/4885

“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.