Sugi Predict

Sugi Predict / Compounds / SCHEMBL1348071

SCHEMBL1348071

SCHEMBL1348071

CC(C)[C@H]1CC[C@@H](NCc2ccc(-c3cccc(C(N)=O)c3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 6/20 0.48
▸ KDM1A O60341 2/20 0.47
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41
▸ LDHB P07195 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ LDHA P00338 1/20 0.39
▸ FYN P06241 3/20 0.38
▸ CCNE2 O96020 2/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ VNN1 O95497 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 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
SCHEMBL1347565 1.00 PRKD1 (0.48) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1347566 1.00 PRKD1 (0.48) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1348274 0.89 KDM1A (0.49) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1346050 0.87 KDM1A (0.47) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1346051 0.87 KDM1A (0.47) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1347647 0.87 KDM1A (0.47) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1347367 0.87 KDM1A (0.47) PRKD1KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1345997 0.85 DHODH (0.44) PRKD1KDM1APRKD3PRKD2LDHB
SCHEMBL12132356 0.85 DHODH (0.44) PRKD1KDM1APRKD3PRKD2LDHB
SCHEMBL1345620 0.85 OPRM1 (0.49) PRKD1KDM1ACYP11B1CYP11B2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 — — US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 — — US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 — — US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 — — US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 — — US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 — — US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 — — 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 PRKD1 4556/4885KDM1A 2408/4885CYP11B1 195/4885

“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.