SCHEMBL4874908

SCHEMBL4874908

S=[C]NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
LMNA P02545 2/20 0.52
IDO1 P14902 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
ATM Q13315 1/20 0.52
KDM1A O60341 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL8916932 0.87 SIGMAR1 (0.59) KCNH2SIGMAR1L3MBTL1MIF
SCHEMBL1270016 0.85 SIGMAR1 (0.59) SIGMAR1L3MBTL1MIF
SCHEMBL11103198 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1MIF
SCHEMBL11107579 0.84 SIGMAR1 (0.62) SIGMAR1L3MBTL1MIF
SCHEMBL2243709 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL7631772 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL349780 0.77 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL2549267 0.76 ALOX12 (0.48) IDO1MAOAALDH1A1CYP3A4GAA
SCHEMBL4253869 0.74 ATM (0.54) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL10754359 0.73 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632441-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
CN-118344346-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-16 CN disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
CN-118290408-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-05 CN disclosed
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-04 US disclosed
CN-118271298-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-02 CN disclosed
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 US disclosed
CN-118271297-A Heterocyclic compounds and their use 武田药品工业株式会社 2024-07-02 CN disclosed
US-12012419-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-18 US disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed
CN-101356161-A Heterocyclic CETP inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-28 CN disclosed
US-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2008-04-17 US disclosed
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP 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 (4 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-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 NPC1 4200/4885RAB9A 1958/4885SMN1; SMN2 4380/4885
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NPY2R NPC1 535/4885RAB9A 2554/4885SMN1; SMN2 1350/4885
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 NPC1 1832/4885RAB9A 1052/4885SMN1; SMN2 2791/4885
US-12012419-B2 Heterocyclic compound SLC10A2, ALPI, SLC10A1 NPC1 875/4885RAB9A 1771/4885SMN1; SMN2 879/4885

“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.