SCHEMBL29985406

SCHEMBL29985406

NC(=O)C1(C(c2ccccc2)C(F)(F)F)CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2C19 P33261 2/20 0.31
USP2 O75604 1/20 0.31
GLA P06280 1/20 0.31
OPRK1 P41145 1/20 0.31
AKR1C1 Q04828 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL2913177 0.76 AKR1C1 (0.34) ALDH1A1TSHRCYP2D6CYP1A2OPRK1
SCHEMBL154897 0.73
SCHEMBL6942516 0.67 SLC6A2 (0.42) SMN1; SMN2OPRK1LMNA
SCHEMBL27487177 0.65 AKR1C1 (0.44) ALDH1A1TSHRSMN1; SMN2AKR1C1LMNA
SCHEMBL27842921 0.65 AKR1C1 (0.38) ALDH1A1SMN1; SMN2GLAAKR1C1NPC1
SCHEMBL6472115 0.65 MME (0.37) OPRK1KMT2A
SCHEMBL10535237 0.62
SCHEMBL10535242 0.62
SCHEMBL10535173 0.62
SCHEMBL509806 0.62 PARP1 (0.33)

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-12291519-B2 2-hydroxycycloalkane-1-carbamoyl IDORSIA PHARMACEUTICALS LTD (CH) 2025-05-06 US 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 ALDH1A1 657/4885TSHR 1202/4885L3MBTL1 3752/4885
US-20220324847-A1 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES LGALS1, LGALS2, LGALS3 ALDH1A1 807/4885TSHR 1262/4885L3MBTL1 4008/4885

“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.