SCHEMBL6848680

SCHEMBL6848680

CC(C)(C)OC(=O)NCC1CCC(NC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.57
ACACA Q13085 11/20 0.57
PBK Q96KB5 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD4 P21917 1/20 0.49

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
SCHEMBL13590717 0.91 ACACB (0.67) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL7066997 0.83 DRD4 (0.59) DRD4
SCHEMBL30182333 0.81 MAPK14 (0.57) ACACBACACAPBKCYP2C9
SCHEMBL8897974 0.80 ACACB (0.58) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL8897971 0.80 ACACB (0.58) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL2747078 0.79 DRD4 (0.67) DRD4
SCHEMBL6039406 0.77 ACACB (0.69) ACACBACACA
SCHEMBL6039411 0.77 ACACB (0.69) ACACBACACA
SCHEMBL6850062 0.77 DRD4 (0.59) DRD4
SCHEMBL18534331 0.76 EPHX1 (0.52) ACACBACACAPBK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ACACB 4699/4885ACACA 3917/4885PBK 4552/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ACACB 4215/4885ACACA 2767/4885PBK 3971/4885

“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.