SCHEMBL3129698

SCHEMBL3129698

CN(C)c1cccc(-c2ccccc2OC(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 7/20 0.45
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL20573263 0.84 TUBB4A (0.47) SMN1; SMN2KDM4EALDH1A1
SCHEMBL31448682 0.81 FABP3 (0.49) SMN1; SMN2KDM4EALDH1A1
SCHEMBL17797024 0.81 CNR2 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL17797004 0.79 MAOA (0.44) BRD4
SCHEMBL20573260 0.79 SELL (0.43) FYNLRRK2
SCHEMBL3131548 0.78 BAZ2B (0.46) FYN
SCHEMBL274364 0.78 FABP3 (0.53) SMN1; SMN2KDM4EALDH1A1
SCHEMBL20573269 0.78 TUBB4A (0.44) —
SCHEMBL17796936 0.78 RORB (0.47) —
SCHEMBL29728528 0.78 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 FYN 2332/4885BCHE 1451/4885ACHE 4326/4885

“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.

Send feedback