SCHEMBL23545798

SCHEMBL23545798

C[C@@H]1COC[C@H](c2cccc(C(F)(F)F)c2)N1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR1A P08908 2/20 0.44
HTR2B P41595 3/20 0.43
HTR2A P28223 2/20 0.43
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CHRM2 P08172 1/20 0.40
DRD3 P35462 1/20 0.40
DRD2 P14416 1/20 0.39
RAF1 P04049 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
SCHEMBL23522762 0.82 HTR2C (0.40) HTR2CKDM1ARCOR1
SCHEMBL23522761 0.82 HTR2C (0.40) HTR2CKDM1ARCOR1
SCHEMBL24540920 0.82 HTR2C (0.40) HTR2CKDM1ARCOR1
SCHEMBL29650904 0.79 CA1 (0.37) HTR2CHTR2BHTR2A
SCHEMBL24541211 0.79 CA1 (0.37) HTR2CHTR2BHTR2A
SCHEMBL7294639 0.76 SMN1; SMN2 (0.41) HTR2BCHRM2
SCHEMBL8128459 0.76 SMN1; SMN2 (0.41) HTR2BCHRM2
SCHEMBL26084666 0.75 HTR1A (0.51) HTR2CHTR1AHTR2BHTR2AKDM1A
SCHEMBL26084665 0.75 HTR1A (0.51) HTR2CHTR1AHTR2BHTR2AKDM1A
SCHEMBL18159802 0.73 HTR1A (0.46) HTR2CHTR1AHTR2BHTR2A

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-20210188828-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-06-24 US disclosed
WO-2021124277-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-06-24 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-20210188828-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 HTR2C 1863/4885HTR1A 1769/4885HTR2B 1716/4885

“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.