SCHEMBL22129386

SCHEMBL22129386

Cc1cnc(N2CC(O)C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 12/20 0.45
▸ PROKR1 Q8TCW9 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ PDE9A O76083 1/20 0.33

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
SCHEMBL29929479 1.00 SMO (0.45) SMOPROKR1CNR2PIM1PIM3
SCHEMBL28421081 0.85 CNR2 (0.42) SMOCNR2
SCHEMBL22129420 0.78 SMO (0.39) SMO
SCHEMBL29404134 0.77 SMO (0.42) SMOCNR2
SCHEMBL22129464 0.77 SMO (0.41) SMO
SCHEMBL22153061 0.76 PDE9A (0.41) SMOPDE9A
SCHEMBL28422543 0.75 PROKR1 (0.38) SMOPROKR1TYK2LRRK2PDE9A
SCHEMBL12524364 0.72 CHRM4 (0.39) CNR2KCNH2MCHR1TYK2
SCHEMBL30937175 0.70 PDE10A (0.50) PROKR1CNR2
SCHEMBL11981511 0.70 EGLN2 (0.40) PROKR1KCNH2TYK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333626-B Phenyl pyrrolidine compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-18 — — CN disclosed
US-20220056014-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2022-02-24 — — US disclosed
EP-3901146-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2021-10-27 — — EP disclosed
EP-3901146-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2021-10-27 — — EP disclosed
CN-111333626-A Phenyl pyrrolidine compounds and uses thereof 湖北生物医药产业技术研究院有限公司 2020-06-26 — — CN disclosed
WO-2020125627-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-06-25 — — WO disclosed
WO-2020125627-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2020-06-25 — — 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-20220056014-A1 PHENYLPYRROLIDINE COMPOUND AND USE THEREOF PAH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AVPR2 SMO 4546/4885PROKR1 453/4885CNR2 41/4885

“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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