SCHEMBL198098

SCHEMBL198098

Cc1ccnc(-c2cc(C)cc(-c3cc(C)ccn3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.81
CCR5 P51681 3/20 0.81
CCR8 P51685 3/20 0.81
METAP2 P50579 1/20 0.55
UHRF1 Q96T88 1/20 0.52
CYP2A6 P11509 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
KMT2A Q03164 1/20 0.48
SYK P43405 2/20 0.42
PLAU P00749 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL29397106 0.90 CCR1 (1.00) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL181893 0.90 CCR1 (1.00) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL18775529 0.90 CCR1 (0.65) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL24683565 0.89 CCR1 (0.71) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL17132034 0.88 CCR1 (0.63) CCR1CCR5CCR8METAP2CYP2A6
Hydrochloric Acid SCHEMBL9639295 0.87 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL6820852 0.87 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1
Hydrochloric Acid SCHEMBL5549447 0.87 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL2258309 0.87 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL6820765 0.87 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
US-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-11-09 US disclosed
US-20180128767-A1 Small Volume In Vitro Analyte Sensor ABBOTT DIABETES CARE INC. (US) 2018-05-10 US disclosed
US-9891185-B2 Small volume in vitro analyte sensor ABBOTT DIABETES CARE INC. (US) 2018-02-13 US disclosed
US-9662057-B2 Integrated sample acquisition and analyte measurement method ABBOTT DIABETES CARE INC. (US) 2017-05-30 US disclosed
US-9614165-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode and method of producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2017-04-04 US disclosed
US-9614165-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode and method of producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2017-04-04 US disclosed
US-20160334356-A1 Small Volume In Vitro Analyte Sensor THERASENSE, INC. 2016-11-17 US disclosed
US-20160235350-A1 Integrated Sample Acquisition and Analyte Measurement Device THERASENSE, INC. 2016-08-18 US disclosed
US-6461496-B1 BLOOD GLUCOSE THERASENSE, INC. 2002-10-08 US disclosed
US-6338790-B1 DETECTION OF BIOANALYTES IN A SMALL VOLUME SAMPLE; CONCENTRATION OF A BIOMOLECULE, SUCH AS GLUCOSE OR LACTATE, USING TECHNIQUES SUCH AS COULOMETRY, AMPEROMETRY, AND POTENTIOMETRY. AN ENZYME CAPABLE OF CATALYZING THE THERASENSE, INC. 2002-01-15 US disclosed
US-6299757-B1 ANALYTICAL SENSORS FOR THE DETECTION OF BIOANALYTES; ESPECIALLY MONITORING GLUCOSE LEVELS IN DIABETIC PATIENTS THERASENSE, INC. 2001-10-09 US disclosed
EP-1119637-A1 SMALL VOLUME $i(IN VITRO) ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR Therasense, Inc. (US) 2001-08-01 EP disclosed
US-6245988-B1 USEFUL IN A PHOTOVOLTAIC CELL COMPRISING A NANOCRYSTALLINE TITANIUM DIOXIDE LAYER; IMPROVING THE EFFICIENCY OF SOLAR TO ELECTRIC POWER CONVERSION BY PROVIDING PHOTOSENSITIZER HAVING ENHANCED SPECTRAL RESPONSE IN RED/INFRARED REGIONS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2001-06-12 US disclosed
WO-2000020626-A1 SMALL VOLUME IN VITRO ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR THERASENSE, INC. (US) 2000-04-13 WO disclosed
EP-0758337-B1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECH (CH) 1998-12-16 EP disclosed
US-5789592-A Phosphonated polypyridyl compounds and their complexes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1998-08-04 US disclosed
EP-0758337-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1997-02-19 EP disclosed
WO-1995029924-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 1995-11-09 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-20230357286-A1 KETONE SYNTHESIS AND APPLICATIONS NISCH, COASY, KLK7 CCR1 3534/4885CCR5 3895/4885CCR8 4115/4885

“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.