SCHEMBL21038564

SCHEMBL21038564

CC(C)C[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.32
ANPEP P15144 1/20 0.32
CNR2 P34972 2/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL17834055 1.00 LMNA (0.33) LMNACYP2C9TSHRANPEPCNR2
SCHEMBL24448809 1.00 LMNA (0.33) LMNACYP2C9TSHRANPEPCNR2
SCHEMBL4843667 1.00 LMNA (0.33) LMNACYP2C9TSHRANPEPCNR2
SCHEMBL17834053 1.00 LMNA (0.33) LMNACYP2C9TSHRANPEPCNR2
SCHEMBL4835227 0.96 TSHR (0.38) LMNACYP2C9TSHRDPP4
SCHEMBL4845201 0.94 TSHR (0.36) LMNACYP2C9TSHR
SCHEMBL4844966 0.86 TSHR (0.41) TSHR
SCHEMBL102291 0.86 LMNA (0.36) LMNACYP2C9
SCHEMBL14652016 0.86 LMNA (0.36) LMNACYP2C9
SCHEMBL10974716 0.84 ANPEP (0.32) ANPEPDPP4

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-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 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-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 LMNA 2777/4885CYP2C9 2542/4885TSHR 2658/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 LMNA 2343/4885CYP2C9 2429/4885TSHR 2385/4885

“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.