SCHEMBL3157458

SCHEMBL3157458

CCOc1ccc(Br)cc1CN1CCC(N)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.58
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44

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
Hydrochloric Acid SCHEMBL30902385 0.84 CCR5 (0.52) CCR5KDM4EMAPT
SCHEMBL5699710 0.82 CCR5 (0.88) CCR5
SCHEMBL27542208 0.79 KDM4E (0.74) CCR5KDM4EMEN1ALDH1A1TSHR
SCHEMBL27341095 0.78 KMT2A (0.49) CCR5KDM4EMEN1KMT2A
SCHEMBL27341020 0.78 KMT2A (0.49) CCR5KDM4EMEN1KMT2A
Succinic Acid SCHEMBL31581379 0.78 PTGDR2 (0.49) CCR5MEN1KMT2A
Hydrochloric Acid SCHEMBL30902310 0.77 KDM4E (0.49) CCR5KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL30902290 0.77 KDM4E (0.49) CCR5KDM4EMEN1KMT2A
Fumaric Acid SCHEMBL31581087 0.77 DRD2 (0.47) CCR5MEN1KMT2A
SCHEMBL4367612 0.74 KDM4E (0.47) CCR5KDM4EMEN1ALDH1A1TSHR

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
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-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 CCR5 942/4885KDM4E 1046/4885MEN1 4797/4885

“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.