SCHEMBL20074479

SCHEMBL20074479

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.54
GRM5 P41594 11/20 0.54
WNT3A P56704 1/20 0.48
PDK4 Q16654 1/20 0.47
CDK9 P50750 2/20 0.46
CCNT1 O60563 1/20 0.46
TNK2 Q07912 2/20 0.45
NAMPT P43490 1/20 0.45
HTR6 P50406 1/20 0.44

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 0.88 GRM1 (0.60) GRM1GRM5WNT3APDK4CDK9
SCHEMBL20074575 0.84 GRM1 (0.56) GRM1GRM5WNT3APDK4CDK9
SCHEMBL25219088 0.84 GRM1 (0.56) GRM1GRM5WNT3APDK4CDK9
SCHEMBL29950613 0.83 GRM1 (0.55) GRM1GRM5WNT3APDK4CDK9
SCHEMBL24180524 0.83 GRM1 (0.53) GRM1GRM5WNT3APDK4TNK2
SCHEMBL30930896 0.83 ESR2 (0.40) GRM1GRM5
SCHEMBL4152429 0.83 GRM1 (0.54) GRM1GRM5WNT3APDK4CDK9
SCHEMBL12543411 0.82 GRM1 (0.56) GRM1GRM5WNT3APDK4CDK9
SCHEMBL4251822 0.81 GRM5 (0.70) GRM1GRM5WNT3APDK4NAMPT
SCHEMBL29559340 0.81 GRM5 (0.70) 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-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-02 US disclosed
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 US 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 (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-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof TGFBR1, TGFB2, TGFB1 GRM1 4070/4885GRM5 1869/4885WNT3A 412/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 GRM1 4070/4885GRM5 1869/4885WNT3A 412/4885

“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.