SCHEMBL3129644

SCHEMBL3129644

c1ccc2cc(CC3CCCCC3)ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.49
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR6 P50406 4/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
VCP P55072 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PDPK1 O15530 1/20 0.39
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
GSK3B P49841 1/20 0.38
CYP11B2 P19099 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL20993171 0.72 PDE4A (0.41) HTR6RAB9AALDH1A1NPC1KDM4E
SCHEMBL8911524 0.72 HPGD (0.55) L3MBTL1HTR6RAB9AALDH1A1NPC1
SCHEMBL16654084 0.71 PDE10A (0.56) RAB9AALDH1A1CYP1A2KDM4ENPSR1
SCHEMBL3097499 0.71 FAAH (0.54) HTR6RAB9AALDH1A1NPC1CYP1A2
SCHEMBL13877431 0.71 CYP2D6 (0.44) KDM4CATML3MBTL1CYP1A2CYP2A6
SCHEMBL20623030 0.70 L3MBTL1 (0.58) KDM4CL3MBTL1RAB9AALDH1A1NPC1
Bromide SCHEMBL28182316 0.70 HPGD (0.54) L3MBTL1HTR6RAB9AALDH1A1NPC1
SCHEMBL22288137 0.70 L3MBTL1 (0.58) KDM4CL3MBTL1RAB9AALDH1A1NPC1
SCHEMBL30452394 0.70 L3MBTL1 (0.58) KDM4CL3MBTL1RAB9AALDH1A1NPC1
SCHEMBL8778826 0.70 RAB9A (0.41) HTR6RAB9AALDH1A1NPC1CYP1A2

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 KDM4C 3334/4885ATM 3604/4885L3MBTL1 4241/4885

“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.