SCHEMBL104891

SCHEMBL104891

CC(C)Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.54
ALDH1A3 P47895 1/20 0.52
MAP4K4 O95819 1/20 0.51
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP3A5 P20815 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PARP10 Q53GL7 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.44
ADRB2 P07550 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL9702616 0.97 P2RX3 (0.53) P2RX3ALDH1A3MAP4K4POLBKMT2A
SCHEMBL22967688 0.93 MAOA (0.52) P2RX3ALDH1A3MAP4K4POLBKMT2A
SCHEMBL12204427 0.89 P2RX3 (0.47) P2RX3ALDH1A3MAP4K4POLBKMT2A
SCHEMBL125543 0.86 ALDH1A3 (0.64) ALDH1A3POLBKMT2APARP10CYP1A2
SCHEMBL6556332 0.84 L3MBTL1 (0.53) P2RX3MAP4K4POLBL3MBTL1CYP1A2
SCHEMBL28060864 0.84 KMT2A (0.61) P2RX3POLBKMT2ACYP3A4PARP10
SCHEMBL27912406 0.84 HPGD (0.65) P2RX3POLBKMT2ACYP3A4L3MBTL1
SCHEMBL10601649 0.82 POLB (0.48) P2RX3MAP4K4POLBL3MBTL1CYP1A2
SCHEMBL17789998 0.81 L3MBTL1 (0.47) P2RX3ALDH1A3MAP4K4POLBCYP3A4
Hydrogen Peroxide SCHEMBL28902806 0.80 KMT2A (0.70) ALDH1A3POLBKMT2APARP10CYP1A2

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 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
EP-0276124-A2 Prostaglandin derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1988-07-27 EP disclosed
EP-0246739-A2 Macrolide compounds, their preparation and their use SANKYO COMPANY LIMITED (JP) 1987-11-25 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US disclosed
US-4434176-A CARDIOVASCULAR DISORDERS SANDOZ LTD. (CH) 1984-02-28 US disclosed
US-4340541-A FOR TREATING CORONARY CONDITIONS AS ANTIARRHYTHMIA AGENTS SANDOZ LTD. (CH) 1982-07-20 US disclosed
US-4080463-A TREATMENT OF CORONARY DISORDERS, ANTIARRHYTHMIA SANDOZ LTD. (CH) 1978-03-21 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 (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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT P2RX3 1532/4885ALDH1A3 709/4885MAP4K4 2091/4885
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 P2RX3 63/4885ALDH1A3 1467/4885MAP4K4 2240/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 P2RX3 2702/4885ALDH1A3 531/4885MAP4K4 1534/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 P2RX3 1082/4885ALDH1A3 758/4885MAP4K4 2170/4885

“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.