SCHEMBL3177907

SCHEMBL3177907

CNC1CCN(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP2A13 Q16696 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CXCR4 P61073 1/20 0.46
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
BACE1 P56817 3/20 0.46
CX3CR1 P49238 1/20 0.43
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
CCR2 P41597 1/20 0.41
ROCK1 Q13464 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13202837 0.91 CYP2A13 (0.54) KDM4EALDH1A1TDP1CYP2A13SIGMAR1
SCHEMBL3172651 0.90 ALDH1A1 (0.56) KDM4EALDH1A1TDP1CYP2A13SIGMAR1
SCHEMBL724604 0.80 ACHE (0.69) SIGMAR1BCHEACHEBACE1
SCHEMBL242759 0.80 ACHE (0.69) SIGMAR1BCHEACHEBACE1
SCHEMBL242760 0.80 ACHE (0.69) SIGMAR1BCHEACHEBACE1
SCHEMBL19513464 0.78 ROCK2 (0.56) KDM4EALDH1A1SIGMAR1CXCR4BCHE
SCHEMBL19513483 0.78 ROCK2 (0.56) KDM4EALDH1A1SIGMAR1CXCR4BCHE
SCHEMBL23507476 0.78 BCHE (0.63) SIGMAR1BCHEACHEBACE1ROCK2
Bromide SCHEMBL2497824 0.78 ACHE (0.68) SIGMAR1BCHEACHEBACE1
SCHEMBL4072400 0.77 CCR2 (0.61) KDM4EALDH1A1TDP1SIGMAR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US disclosed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US 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 (2 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-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 KDM4E 1116/4885ALDH1A1 538/4885TDP1 2469/4885
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 KDM4E 1046/4885ALDH1A1 963/4885TDP1 3034/4885

“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.