SCHEMBL29985809

SCHEMBL29985809

CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1Nc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CLK2 P49760 5/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
HCK P08631 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
MARK3 P27448 1/20 0.38
LTK P29376 1/20 0.38
FLT3 P36888 1/20 0.38
CSNK1A1 P48729 1/20 0.38
MAPK10 P53779 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAP3K10 Q02779 1/20 0.38

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
SCHEMBL31324521 0.99 TSHR (0.44) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL24394594 0.98 TSHR (0.43) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL24394451 0.98 TSHR (0.43) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL26626202 0.93 FADS1 (0.39) TSHRLMNACLK2JAK2ROCK2
SCHEMBL31324566 0.87 ALDH1A1 (0.43) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL29985766 0.86 KDM4E (0.47) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL31324558 0.86 ALDH1A1 (0.43) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL29986178 0.85 TSHR (0.45) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL29985503 0.85 TSHR (0.45) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL29985420 0.85 ALDH1A1 (0.43) TSHRALDH1A1LMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291519-B2 2-hydroxycycloalkane-1-carbamoyl IDORSIA PHARMACEUTICALS LTD (CH) 2025-05-06 US disclosed
EP-4013751-B1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2025-01-22 EP disclosed
US-20220324847-A1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-13 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-12291519-B2 2-hydroxycycloalkane-1-carbamoyl LGALS1, LGALS2, LGALS3 TSHR 1202/4885ALDH1A1 657/4885LMNA 772/4885
US-20220324847-A1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES LGALS1, LGALS2, LGALS3 TSHR 1262/4885ALDH1A1 807/4885LMNA 571/4885

“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.