SCHEMBL103883

SCHEMBL103883

CC(C)Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.55
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRNA7 P36544 2/20 0.50
TBXAS1 P24557 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.48

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
SCHEMBL24334938 0.85 FDPS (0.53) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL14828666 0.83 FDPS (0.56) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL29669201 0.83 SLC6A2 (0.57) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL30082869 0.83 FDPS (0.56) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL2096123 0.83 FDPS (0.51) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL290633 0.83 SLC6A2 (0.57) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL12632304 0.83 FDPS (0.56) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL25756815 0.83 FDPS (0.51) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL12894954 0.83 SLC6A2 (0.57) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL27739281 0.83 FDPS (0.51) FDPSCHRNB2CHRNA4CYP1A2CYP2D6

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 1294 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655447-A Application of pyridine ligand modified ruthenium-based catalyst in acetylene hydrochlorination 南开大学 2023-08-29 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
US-20180201883-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, COMPRISING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2018-07-19 US claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
EP-2224807-B1 METHODS FOR STEREOSELECTIVE REDUCTION INFINITY PHARMACEUTICALS INC (US) 2016-11-09 EP claimed
US-9238672-B2 Methods for stereoselective reduction INFINITY PHARMACEUTICALS, INC. (US) 2016-01-19 US claimed
US-20140357868-A1 METHODS FOR STEREOSELECTIVE REDUCTION INFINITY PHARMACEUTICALS, INC. (US) 2014-12-04 US claimed
CN-101917853-B Method for stereoselective reduction INFINITY PHARMACEUTICALS INC 2014-03-19 CN claimed
US-20110009442-A1 METHODS FOR STEREOSELECTIVE REDUCTION ROYALTY SECURITY, LLC 2011-01-13 US claimed
CN-101917853-A Method for stereoselective reduction INFINITY PHARMACEUTICALS INC 2010-12-15 CN claimed
EP-2224807-A1 METHODS FOR STEREOSELECTIVE REDUCTION Infinity Pharmaceuticals, Inc. (US) 2010-09-08 EP claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
WO-2009086451-A1 METHODS FOR STEREOSELECTIVE REDUCTION INFINITY PHARMACEUTICALS, INC. (US) 2009-07-09 WO claimed
US-6906069-B1 Diagnosis indicator; anticholesterol agents; antilipemic agents; antidiabtic agents AMGEN INC. (US) 2005-06-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110009442-A1 METHODS FOR STEREOSELECTIVE REDUCTION HSD17B7, CYP17A1, HSD11B1 FDPS 155/4885CHRNB2 1514/4885CHRNA4 1465/4885
US-20140357868-A1 METHODS FOR STEREOSELECTIVE REDUCTION HSD17B7, CYP17A1, HSD11B1 FDPS 155/4885CHRNB2 1514/4885CHRNA4 1465/4885
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound NEFM, TRPA1, ALOX5 FDPS 232/4885CHRNB2 1473/4885CHRNA4 831/4885

“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.