SCHEMBL20935296

SCHEMBL20935296

O=C1CCN(c2ccnc3ccc(F)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.52
▸ NCF1 P14598 4/20 0.47
▸ PIK3CA P42336 6/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHKA P35790 1/20 0.40

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
SCHEMBL20935454 0.83 CHRM4 (0.47) CHRM4NCF1PIK3CAPIK3CDPIK3CB
SCHEMBL17729254 0.81 NCF1 (0.70) CHRM4NCF1ADRB2
SCHEMBL30059038 0.81 CHRM4 (0.50) CHRM4NCF1PIK3CAPIK3CDPIK3CB
SCHEMBL17729204 0.80 MAPK1 (0.52) CHRM4NCF1MAPK1NPSR1HSD17B10
SCHEMBL7957058 0.79 NCF1 (0.65) NCF1NPSR1ADRB2PKMALOX15
SCHEMBL1223880 0.79 CHRM4 (0.60) CHRM4NCF1PIK3CACYP8B1
SCHEMBL17729151 0.78 CHRM4 (0.53) CHRM4NCF1PIK3CAPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL6158505 0.78 NUDT1 (0.54) CHRM4MAPK1
SCHEMBL21381383 0.76 KDM4E (0.49) HSD17B10
SCHEMBL20935456 0.76 CHRM4 (0.56) CHRM4NCF1PIK3CACYP8B1

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-111630043-B Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2022-02-15 — — CN disclosed
US-11180497-B2 Cyclic compounds as immunomodulating agents ANGEX PHARMACEUTICAL, INC. (US) 2021-11-23 — — US disclosed
CN-111630043-A Compound containing ring, preparation method and application thereof in medicine 四川科伦博泰生物医药股份有限公司 2020-09-04 — — CN disclosed
US-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. 2020-07-30 — — US disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 — — WO disclosed
WO-2019179369-A1 RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 — — WO disclosed
WO-2019078968-A2 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. (US) 2019-04-25 — — 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 (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-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS IDO1, IDO2, INMT CHRM4 4002/4885NCF1 897/4885PIK3CA 718/4885
US-11180497-B2 Cyclic compounds as immunomodulating agents IDO1, IDO2, INMT CHRM4 3822/4885NCF1 1082/4885PIK3CA 558/4885

“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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