SCHEMBL22493790

SCHEMBL22493790

O=C1c2ccc(Cl)cc2CC12CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.42
HTR2A P28223 4/20 0.42
HTR2B P41595 4/20 0.42
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
PPOX P50336 1/20 0.40
SRD5A1 P18405 1/20 0.39
AHR P35869 2/20 0.39
METAP1 P53582 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F7 P08709 1/20 0.37
PARP1 P09874 1/20 0.37
F3 P13726 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CES1 P23141 1/20 0.37
PNMT P11086 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.36
CMA1 P23946 1/20 0.36
S100A4 P26447 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
Hydrochloric Acid SCHEMBL21855899 0.98 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2SIGMAR1
SCHEMBL21856169 0.88 F7 (0.44) HTR2CHTR2AHTR2BDRD2PPOX
SCHEMBL29506005 0.88 F7 (0.44) HTR2CHTR2AHTR2BDRD2PPOX
SCHEMBL25309133 0.84 PPOX (0.42) HTR2CHTR2AHTR2BDRD2SIGMAR1
SCHEMBL31090030 0.84 PPOX (0.42) HTR2CHTR2AHTR2BDRD2SIGMAR1
SCHEMBL14603575 0.81 DPP4 (0.41) HTR2CSRD5A1MAPTPARP1PARP10
SCHEMBL21856223 0.81 PARP10 (0.44) HTR2CHTR2AHTR2BMETAP1PARP1
Hydrochloric Acid SCHEMBL31317459 0.80 DPP4 (0.40) HTR2CHTR2AHTR2BDRD2SIGMAR1
Hydrochloric Acid SCHEMBL25225453 0.80 DPP4 (0.40) HTR2CHTR2AHTR2BDRD2SIGMAR1
SCHEMBL14603533 0.78 SMN1; SMN2 (0.47) HTR2CHTR2AHTR2BDRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874363-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-11-12 CN disclosed
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 US disclosed
US-11884664-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2024-01-30 US disclosed
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
US-11634417-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2023-04-25 US disclosed
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-08-11 US disclosed
CN-114341124-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2022-04-12 CN disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 US 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 (5 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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C HTR2C 4335/4885HTR2A 4539/4885HTR2B 4561/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C HTR2C 4335/4885HTR2A 4539/4885HTR2B 4561/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C HTR2C 4335/4885HTR2A 4539/4885HTR2B 4561/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C HTR2C 4335/4885HTR2A 4539/4885HTR2B 4561/4885
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C HTR2C 4335/4885HTR2A 4539/4885HTR2B 4561/4885

“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.