Sugi Predict

Sugi Predict / Compounds / SCHEMBL2242353

SCHEMBL2242353

SCHEMBL2242353

N[C@@H]1CCc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.45
▸ KDM1A O60341 4/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL5395926 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL354134 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL30468607 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL29809159 1.00 SRD5A1 (0.45) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL26962651 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL30468609 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL17579695 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Hydrochloric Acid SCHEMBL6932003 0.98 SRD5A1 (0.44) SRD5A1KDM1AKDM1BIDO1CYP17A1
Methylamine SCHEMBL27768740 0.96 SRD5A1 (0.47) SRD5A1KDM1AKDM1BIDO1CYP17A1
SCHEMBL18289385 0.89 KDM1A (0.42) SRD5A1KDM1AKDM1BCYP17A1CYP3A4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 — — EP disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 — — EP disclosed
EP-4272836-A2 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-11-08 — — EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 — — EP disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-05-26 — — US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 — — US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 — — US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 — — US disclosed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 — — US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 — — US disclosed
EP-2262773-A1 2-AMINOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-22 — — EP disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 — — US disclosed
WO-2009109491-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 — — WO disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 — — US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 — — 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 (7 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 SRD5A1 3304/4885KDM1A 4612/4885KDM1B 4560/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 SRD5A1 3304/4885KDM1A 4612/4885KDM1B 4560/4885
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B SRD5A1 727/4885KDM1A 2116/4885KDM1B 1987/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 SRD5A1 2084/4885KDM1A 2508/4885KDM1B 1710/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 SRD5A1 2501/4885KDM1A 2848/4885KDM1B 3644/4885
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ENTPD5, ENTPD1, NT5E SRD5A1 2251/4885KDM1A 729/4885KDM1B 796/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 SRD5A1 2084/4885KDM1A 2508/4885KDM1B 1710/4885

“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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