SCHEMBL3124409

SCHEMBL3124409

CC(C)CCC(N)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
SIGMAR1 Q99720 3/20 0.59
SLC6A2 P23975 2/20 0.59
TAAR1 Q96RJ0 2/20 0.59
MAOA P21397 1/20 0.59
SLC6A4 P31645 1/20 0.59
SLC6A3 Q01959 1/20 0.59
CYP2A6 P11509 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
ANPEP P15144 3/20 0.55
CYP2D6 P10635 1/20 0.55
RNPEP Q9H4A4 2/20 0.47
DNPEP Q9ULA0 2/20 0.47
LAP3 P28838 2/20 0.46

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
SCHEMBL15476621 0.89 EPHX1 (0.80) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL902607 0.89 EPHX1 (0.80) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL902633 0.89 EPHX1 (0.80) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL18034347 0.89 EPHX1 (0.80) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL2736189 0.89 EPHX1 (0.80) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL3127068 0.88 EPHX1 (0.59) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL13093523 0.88 SLC6A4 (0.65) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL902643 0.88 SLC6A4 (0.65) EPHX1SIGMAR1SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL16279671 0.87 EPHX1 (0.76) EPHX1SIGMAR1SLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL16279669 0.87 EPHX1 (0.76) EPHX1SIGMAR1SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 EPHX1 390/4885SIGMAR1 1832/4885SLC6A2 2176/4885

“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.