SCHEMBL29550671

SCHEMBL29550671

O=C(O)N1CCC2(CC1)Cc1ccccc1C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
USP2 O75604 3/20 0.46
CYP2C19 P33261 7/20 0.45
MAPK1 P28482 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL8316507 1.00 HRH3 (0.50) HRH3USP2CYP2C19MAPK1ALDH1A1
SCHEMBL1691277 0.84 HRH3 (0.49) HRH3USP2CYP2C19MAPK1ALDH1A1
SCHEMBL29930648 0.81 SPR (0.42) HRH3USP2CYP2C19MAPK1ALDH1A1
SCHEMBL17134739 0.81 BRD4 (0.42) HRH3USP2CYP2C19MAPK1ALDH1A1
SCHEMBL31387908 0.81 HSD11B1 (0.42) HRH3CYP2C19MAPK1ALDH1A1SIGMAR1
SCHEMBL3713549 0.81 HSD11B1 (0.42) HRH3CYP2C19MAPK1ALDH1A1SIGMAR1
SCHEMBL22499434 0.80 SPR (0.43) HRH3CYP2C19MAPK1ALDH1A1KMT2A
SCHEMBL30738685 0.80 MAPK1 (0.44) USP2CYP2C19MAPK1ALDH1A1CYP3A4
SCHEMBL29550707 0.77 TSHR (0.42) USP2CYP2C19MAPK1ALDH1A1CYP3A4
SCHEMBL30111021 0.77 ESR1 (0.46) USP2CYP2C19MAPK1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12209074-B2 SHP2 phosphatase allosteric inhibitor BEIJING SHENOGEN PHARMA GROUP LTD. (CN) 2025-01-28 US disclosed
CN-113493440-B Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2024-08-23 CN disclosed
EP-3601239-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2024-07-31 EP disclosed
CN-115052866-B Crystal form of nitrogen-containing heteroaromatic derivative free alkali 上海翰森生物医药科技有限公司 2024-06-25 CN disclosed
CN-115353509-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-12 CN disclosed
US-20220388977-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR BEIJING SHENOGEN PHARMA GROUP LTD. (CN) 2022-12-08 US disclosed
CN-115353509-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-18 CN disclosed
CN-111295374-B Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
CN-114478585-A Nitrogen-containing fused heterocyclic compound and preparation method and application thereof 上海青煜医药科技有限公司 2022-05-13 CN disclosed
WO-2022089406-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海青煜医药科技有限公司 2022-05-05 WO disclosed
EP-3984999-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR Beijing Shenogen Pharma Group Ltd. (CN) 2022-04-20 EP 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-20220388977-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR PTPN1, PTPN5, PTPN18 HRH3 4683/4885USP2 2268/4885CYP2C19 3302/4885
US-12209074-B2 SHP2 phosphatase allosteric inhibitor PTPN1, PTPN5, PTPN18 HRH3 4683/4885USP2 2268/4885CYP2C19 3302/4885

“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.