SCHEMBL3128239

SCHEMBL3128239

NCc1c(F)cccc1CC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
IDO1 P14902 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR2A P28223 3/20 0.37
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3128231 1.00 NFE2L2 (0.43) NFE2L2PTGER4PTGER3PTGER2IDO1
SCHEMBL15106929 0.81 PTGER4 (0.51) NFE2L2PTGER4PTGER3PTGER2IDO1
SCHEMBL2033548 0.79 PTGER4 (0.53) PTGER4PTGER3PTGER2IDO1ALDH1A1
SCHEMBL2033547 0.79 PTGER4 (0.53) PTGER4PTGER3PTGER2IDO1ALDH1A1
SCHEMBL9035642 0.78 PTGER4 (0.51) PTGER4PTGER3PTGER2IDO1ALDH1A1
Hydrochloric Acid SCHEMBL30081488 0.76 PTGER4 (0.50) PTGER4PTGER3PTGER2IDO1ALDH1A1
SCHEMBL6705776 0.74 KDM4E (0.46) PTGER4PTGER3PTGER2IDO1TAAR1
SCHEMBL6705777 0.74 KDM4E (0.46) PTGER4PTGER3PTGER2IDO1TAAR1
SCHEMBL3672443 0.73 TAAR1 (0.48) IDO1TAAR1HTR2AMAOB
SCHEMBL28248121 0.71 NFE2L2 (0.52) NFE2L2PTGER4PTGER3PTGER2IDO1

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 NFE2L2 1182/4885PTGER4 403/4885PTGER3 60/4885

“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.