SCHEMBL29923181

SCHEMBL29923181

CC(C)(C)OC(=O)NC[C@H]1CCOc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ACACB O00763 6/20 0.39
DRD2 P14416 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
ACACA Q13085 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL29923119 1.00 HTR1A (0.40) HTR1AACACBDRD2KDM4CMTNR1A
SCHEMBL29923116 1.00 HTR1A (0.40) HTR1AACACBDRD2KDM4CMTNR1A
SCHEMBL27214605 1.00 HTR1A (0.40) HTR1AACACBDRD2KDM4CMTNR1A
SCHEMBL29923228 1.00 HTR1A (0.40) HTR1AACACBDRD2KDM4CMTNR1A
SCHEMBL27214566 0.82 HTR1A (0.42) HTR1AKDM4CMTNR1AMTNR1BADRA2A
SCHEMBL27214546 0.82 HTR1A (0.42) HTR1AKDM4CMTNR1AMTNR1BADRA2A
SCHEMBL27214594 0.82 HTR1A (0.42) HTR1AKDM4CMTNR1AMTNR1BADRA2A
SCHEMBL29960335 0.81 ACACB (0.44) HTR1AACACBDRD2KDM4CACACA
SCHEMBL29923261 0.81 ACACB (0.43) ACACBKDM4CACACACKS1BSKP1
SCHEMBL29923328 0.81 ACACB (0.43) ACACBKDM4CACACACKS1BSKP1

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-20240150330-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2024-05-09 US disclosed
WO-2022217232-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 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-20240150330-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS TAAR1, HTR1A, HTR1F HTR1A 2/4885ACACB 4777/4885DRD2 182/4885

“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.