SCHEMBL3132011

SCHEMBL3132011

Cc1ccc(CCCC(C)(C)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
HRH1 P35367 1/20 0.41
TNNC1 P63316 5/20 0.40
S1PR1 P21453 2/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
AGXT P21549 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL9427612 0.87 CYP1A2 (0.54) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL12215700 0.82 TAAR1 (0.48) TAAR1TNNC1S1PR1SGPL1S1PR4
SCHEMBL3797223 0.81 TAAR1 (0.56) CYP2A6TAAR1SMN1; SMN2IDO1
SCHEMBL29048453 0.80 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1IGF1RALOX15
Bromide SCHEMBL11133528 0.79 SLC6A2 (0.54) TAAR1IDO1
SCHEMBL6754911 0.79 IGF1R (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL10653776 0.79 TAAR1 (0.55) TAAR1IGF1RALOX15AGXTIDO1
SCHEMBL12215706 0.78 HRH1 (0.52) CYP1A2HRH1NPC1RAB9ASMN1; SMN2
SCHEMBL15263304 0.78 CYP1A2 (0.43) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL12215696 0.77 TAAR1 (0.56) TAAR1IDO1HRH3

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 9 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-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
WO-2009148052-A1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF 旭化成ファーマ株式会社 (JP) 2009-12-10 WO 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 (2 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 CYP1A2 2092/4885CYP2A6 2912/4885TAAR1 374/4885
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE PTH1R, CASR, SOST CYP1A2 3704/4885CYP2A6 1043/4885TAAR1 786/4885

“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.