SCHEMBL3911045

SCHEMBL3911045

COc1ccc(NCCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
GAA P10253 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ATM Q13315 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
F2 P00734 1/20 0.54
KCNH2 Q12809 1/20 0.54
GRIN2B Q13224 1/20 0.54
FPR2 P25090 1/20 0.54
BCHE P06276 1/20 0.54
LTA4H P09960 1/20 0.53
PLAAT3 P53816 1/20 0.52

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
SCHEMBL6226359 0.93 MAPT (0.73) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL6687730 0.91 MAPT (0.86) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL31176219 0.90 MAPT (0.69) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL8827999 0.90 ALDH1A1 (0.63) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL11525907 0.85 MAPT (0.83) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL5517703 0.85 CHRM2 (0.66) MAPTGAANPC1RAB9AMEN1
SCHEMBL11653014 0.84 L3MBTL1 (0.86) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL6681204 0.84 MAPT (1.00) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL22894160 0.84 MAPT (1.00) MAPTGAAL3MBTL1NPC1RAB9A
SCHEMBL26267962 0.84 MAPT (0.76) MAPTGAAL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-05-31 US disclosed
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-05-31 US disclosed
US-20200297607-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-09-24 US disclosed
US-20200297607-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-09-24 US disclosed
EP-3699250-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE Takasago International Corporation (JP) 2020-08-26 EP disclosed
CN-111212884-A Cold-sensitive composition containing 2,2, 6-trimethylcyclohexanecarboxylic acid derivative 高砂香料工业株式会社 2020-05-29 CN disclosed
WO-2019078185-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE 高砂香料工業株式会社 2019-04-25 WO disclosed
WO-2019078185-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE 高砂香料工業株式会社 2019-04-25 WO disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
EP-2066601-A1 HYDROSILYLATION Agency for Science, Technology And Research (SG) 2009-06-10 EP disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2008039154-A1 HYDROSILYLATION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-04-03 WO disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
EP-1259475-A4 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS UNIV YALE (US) 2004-08-18 EP disclosed
EP-1259475-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2002-11-27 EP disclosed
WO-2001064620-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2001-09-07 WO disclosed
US-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
CN-87100686-A 3-alkoxyl group-2-aminopropylamines as cardiovascular agents 1987-10-14 CN disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 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 (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-20200297607-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE CNR2, ADRB2, TRPA1 MAPT 1748/4885GAA 4870/4885L3MBTL1 3886/4885
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative CNR2, ADRB2, TRPA1 MAPT 1748/4885GAA 4870/4885L3MBTL1 3886/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E MAPT 2033/4885GAA 272/4885L3MBTL1 2172/4885

“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.