SCHEMBL3124223

SCHEMBL3124223

COc1ccc(CN2C(=O)c3ccccc3C2=O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.56
RPS6KA2 Q15349 2/20 0.54
GRM5 P41594 2/20 0.52
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9387548 0.85 RAB9A (0.60) CASP3RPS6KA2GRM5RAB9ARXFP1
SCHEMBL12659953 0.85 KDM4E (0.51) CASP3RPS6KA2GRM5RAB9AHPGD
SCHEMBL6940053 0.84 CASP3 (0.58) CASP3RPS6KA2GRM5RAB9ARXFP1
SCHEMBL2470168 0.81 MAPK1 (0.57) RPS6KA2RXFP1HPGDKMT2ANPSR1
SCHEMBL6939477 0.81 CASP3 (0.58) CASP3RPS6KA2GRM5RAB9ARXFP1
SCHEMBL12659955 0.80 SMN1; SMN2 (0.47) RPS6KA2GRM5RAB9AHPGDKMT2A
SCHEMBL2478397 0.79 P2RX7 (0.52) CASP3RPS6KA2GRM5RAB9ARXFP1
SCHEMBL30136662 0.79 TGM2 (0.49) CASP3RPS6KA2RXFP1HPGDKMT2A
SCHEMBL10304923 0.77 PTGS1 (0.65) CASP3RPS6KA2RAB9AHPGDKMT2A
SCHEMBL29820186 0.77 PTGS1 (0.65) CASP3RPS6KA2RAB9AHPGDKMT2A

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 8 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-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

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 CASP3 611/4885RPS6KA2 4778/4885GRM5 205/4885

“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.