SCHEMBL423295

SCHEMBL423295

CC(=O)N1CCc2cc(C)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 1.00
NPC1 O15118 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 2/20 0.57
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL156256 0.90 NOTUM (0.82) NOTUMTP53MAPTMEN1KMT2A
SCHEMBL429841 0.86 NOTUM (0.76) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL16600509 0.85 NOTUM (0.73) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL6072422 0.83 NOTUM (0.73) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL17368391 0.82 NOTUM (0.69) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL15448489 0.82 NOTUM (0.69) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL15108132 0.82 NOTUM (0.69) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL13345024 0.82 KDM4E (0.83) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL615232 0.81 NOTUM (0.69) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL5009163 0.81 NOTUM (1.00) NOTUMMAPTKDM4ECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-10959984-B2 Methods for treating cancer with RORγ inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-30 US disclosed
WO-2019157065-A9 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2020-10-29 WO disclosed
WO-2019157065-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2019-08-15 WO disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 US disclosed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
US-7321063-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-22 US disclosed
US-7321063-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-22 US disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
WO-2007026097-A1 NOVEL INDOLE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 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 (8 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C NOTUM 2880/4885NPC1 485/4885TP53 4692/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C NOTUM 4762/4885NPC1 2037/4885TP53 4252/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 NOTUM 2517/4885NPC1 701/4885TP53 4863/4885
US-20180085348-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS RORB, RORA, RORC NOTUM 3489/4885NPC1 2297/4885TP53 495/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 NOTUM 1823/4885NPC1 13/4885TP53 4092/4885
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SQOR, QSOX1, SQLE NOTUM 1262/4885NPC1 3484/4885TP53 4869/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NOTUM 1437/4885NPC1 4158/4885TP53 4055/4885
US-10959984-B2 Methods for treating cancer with RORγ inhibitors RORB, RORC, RORA NOTUM 3446/4885NPC1 1579/4885TP53 609/4885

“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.