SCHEMBL23728136

SCHEMBL23728136

CC1NCc2cc(Cl)c(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 6/20 0.36
▸ HTR2C P28335 5/20 0.35
▸ HTR2A P28223 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ DRD2 P14416 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL29835133 0.84 HTR2C (0.36) HTR2CHTR2AHTR2BDRD2TSHR
SCHEMBL24182515 0.81 HTR2C (0.46) HTR2CHTR2AHTR2BDRD2TSHR
SCHEMBL31739077 0.70 PNMT (0.51) PNMTHTR2CHTR2AHTR2B
SCHEMBL24182496 0.70 MAOA (0.34) HTR2CHTR2AHTR2BDRD2TSHR
SCHEMBL23727856 0.70 HTR2C (0.37) PNMTHTR2CNOTUM
SCHEMBL29835182 0.70 HTR2C (0.37) PNMTHTR2CNOTUM
Hydrochloric Acid SCHEMBL31739038 0.69 PNMT (0.50) PNMTHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL31739210 0.68 MAOA (0.39) HTR2CHTR2AHTR2BDRD2TSHR
Hydrochloric Acid SCHEMBL31739160 0.67 P2RX7 (0.34) HTR2CHTR2AHTR2B
SCHEMBL23727841 0.67 PDE3B (0.36) HTR2CHTR2AHTR2BTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 — — US disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 — — CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — 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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 PNMT 4767/4885HTR2C 4712/4885HTR2A 4492/4885

“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.

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