SCHEMBL27010744

SCHEMBL27010744

CC(C)c1cccc2nncc(C(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.41
▸ CYP1A2 P05177 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GABRA1 P14867 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL4546577 0.74 GPR3 (0.44) CYP1A2CYP3A4GABRA1TSHRGABRB2
SCHEMBL19759428 0.70 SLC40A1 (0.38) CYP3A4GABRA1TSHRGABRB2LMNA
SCHEMBL13051659 0.69 LMNA (0.47) CYP1A2CYP3A4HPGDGABRA1TSHR
SCHEMBL12702732 0.69 GABRA1 (0.39) ELANECYP1A2CYP3A4HPGDGABRA1
SCHEMBL24175176 0.68 GABRA1 (0.38) ELANECYP1A2CYP3A4HPGDGABRA1
SCHEMBL14431323 0.68 ELANE (0.40) ELANECYP1A2CYP3A4HPGDGABRA1
SCHEMBL8404445 0.65 MEN1 (0.42) ELANECYP1A2BLMKDM4EALDH1A1
SCHEMBL9170583 0.65 GABRA1 (0.52) ELANECYP1A2CYP3A4HPGDGABRA1
SCHEMBL19131100 0.65 ALDH1A1 (0.38) HPGDKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL18237735 0.64 DYRK1A (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 — — 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 (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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ELANE 1374/4885CYP1A2 2070/4885CYP3A4 2566/4885

“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.

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