SCHEMBL20074575

SCHEMBL20074575

CC(C)(C)OC(=O)N1CC=C(c2cc(Br)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.56
GRM5 P41594 11/20 0.56
WNT3A P56704 1/20 0.49
PDK4 Q16654 1/20 0.49
CDK9 P50750 2/20 0.47
CCNT1 O60563 1/20 0.47
NAMPT P43490 1/20 0.46
JAK1 P23458 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL15024195 0.90 GRM1 (0.60) GRM1GRM5WNT3APDK4CDK9
SCHEMBL25219088 0.86 GRM1 (0.56) GRM1GRM5WNT3APDK4CDK9
SCHEMBL29950613 0.85 GRM1 (0.55) GRM1GRM5WNT3APDK4CDK9
SCHEMBL20074479 0.84 GRM1 (0.54) GRM1GRM5WNT3APDK4CDK9
SCHEMBL4152429 0.84 GRM1 (0.54) GRM1GRM5WNT3APDK4CDK9
SCHEMBL12543411 0.84 GRM1 (0.56) GRM1GRM5WNT3APDK4CDK9
SCHEMBL22777889 0.83 GRM1 (0.53) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL29746802 0.83 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL976835 0.83 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL31039781 0.83 GRM1 (0.55) GRM1GRM5WNT3APDK4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO disclosed
EP-3527570-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-08-21 EP disclosed
WO-2018068759-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2018-04-19 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-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 GRM1 1017/4885GRM5 580/4885WNT3A 1468/4885

“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.