SCHEMBL19781640

SCHEMBL19781640

CCOC(=O)Cc1cnc(SCC)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL19782115 0.81 KDM4E (0.34) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL38655175 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL19781866 0.76 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL30760421 0.76 MAPT (0.48) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL31716064 0.76 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL23214039 0.76 MAPT (0.48) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL24614557 0.76 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL17765273 0.73 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5740030 0.72 MAPT (0.47) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL16430586 0.72 CHRNB2 (0.39) SMN1; SMN2LMNAMEN1KMT2AKDM4E

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-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2019-05-23 US disclosed
WO-2018011746-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2018-01-18 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 (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-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 3885/4885LMNA 3727/4885MEN1 4599/4885

“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.