Sugi Predict

Sugi Predict / Compounds / SCHEMBL6463002

SCHEMBL6463002

SCHEMBL6463002

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)OCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.45
▸ ACACB O00763 11/20 0.43
▸ ACACA Q13085 9/20 0.43
▸ NPY5R Q15761 2/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NAPEPLD Q6IQ20 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TNK2 Q07912 2/20 0.40

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
SCHEMBL6463001 1.00 MCHR1 (0.45) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6880541 0.91 MCHR1 (0.41) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6872362 0.89 ALDH1A1 (0.52) MCHR1ADRA2AKCNH2
SCHEMBL6878604 0.86 MCHR1 (0.48) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6878610 0.86 MCHR1 (0.48) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6457102 0.86 ACACB (0.43) ACACBACACANPY5RNAPEPLDCYP1A2
SCHEMBL6457109 0.86 ACACB (0.43) ACACBACACANPY5RNAPEPLDCYP1A2
SCHEMBL6879386 0.86 MCHR1 (0.47) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6879382 0.86 MCHR1 (0.47) MCHR1ACACBACACANPY5RADRA2A
SCHEMBL6879530 0.83 MCHR1 (0.44) MCHR1NPY5RADRA2ANAPEPLD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP disclosed
US-6518429-B2 Anticancer agents, treating restenosis, atherosclerosis and hepatitis virus LG CHEMICAL, LTD. (KR) 2003-02-11 — — US disclosed
US-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof LG CHEMICAL LTD. 2002-09-26 — — US 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-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof FNTA, FNTB, FDPS MCHR1 4860/4885ACACB 290/4885ACACA 275/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ACACB 3035/4885ACACA 2602/4885

“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.