SCHEMBL3166277

SCHEMBL3166277

CNC1CCN(Cc2ccccc2C(F)(F)F)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 6/20 0.52
ATM Q13315 3/20 0.52
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
POLB P06746 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.48
DDR1 Q08345 2/20 0.46
TACR1 P25103 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL4688028 0.81 KDM4E (0.47) KDM4EALDH1A1ATMPOLBSIGMAR1
SCHEMBL15859935 0.80 KDM4E (0.55) KDM4EALDH1A1ATMPOLBMAPT
SCHEMBL29716462 0.79 KDM4E (0.53) KDM4EALDH1A1ATMSIGMAR1MAPT
SCHEMBL4488404 0.79 KDM4E (0.56) KDM4EALDH1A1ATMPOLBSIGMAR1
SCHEMBL20922109 0.78 DDR1 (0.64) DDR1
SCHEMBL15084360 0.77 KDM4E (0.61) KDM4EALDH1A1ATMPOLBMAPT
SCHEMBL21101334 0.76 ALDH1A1 (0.56) KDM4EALDH1A1ATMPOLBSIGMAR1
SCHEMBL6944191 0.76 KDM4E (0.63) KDM4EALDH1A1ATMPOLBSIGMAR1
SCHEMBL15859937 0.76 KDM4E (0.63) KDM4EALDH1A1ATMPOLBSIGMAR1
SCHEMBL4690644 0.75 SIGMAR1 (0.46) KDM4EALDH1A1CARM1PRMT6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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 (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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 KDM4E 1046/4885ALDH1A1 963/4885ATM 2675/4885

“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.