SCHEMBL29993139

SCHEMBL29993139

NC1Cc2ccccc2C12CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.53
MAOB P27338 1/20 0.53
SIGMAR1 Q99720 1/20 0.45
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
DRD2 P14416 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL21920651 1.00 KDM1A (0.53) KDM1AMAOBSIGMAR1HTR2AHTR2C
SCHEMBL21383813 1.00 KDM1A (0.53) KDM1AMAOBSIGMAR1HTR2AHTR2C
SCHEMBL4975811 0.80 MCHR2 (0.46) KDM1AMAOBSIGMAR1HTR2AHTR2C
SCHEMBL30573675 0.80 MCHR2 (0.46) KDM1AMAOBSIGMAR1HTR2AHTR2C
SCHEMBL30232495 0.80 SIGMAR1 (0.44) KDM1AMAOBSIGMAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6976186 0.79 MCHR2 (0.45) KDM1AMAOBSIGMAR1HTR2AHTR2C
SCHEMBL21845244 0.79 KDM1A (0.50) KDM1AMAOBSIGMAR1OPRM1
Hydrochloric Acid SCHEMBL6973147 0.79 MCHR2 (0.45) KDM1AMAOBSIGMAR1HTR2AHTR2C
SCHEMBL10641844 0.76 KDM1A (0.65) KDM1AMAOB
SCHEMBL21397618 0.75 KDM1A (0.46) KDM1AMAOBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US claimed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
CN-116003321-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-04-25 CN disclosed
CN-115969853-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-04-18 CN disclosed
CN-115721648-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-03-03 CN disclosed
CN-112174935-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-06 CN disclosed
CN-112409334-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-02 CN 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-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ KDM1A 833/4885MAOB 3802/4885SIGMAR1 4287/4885

“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.