SCHEMBL854855

SCHEMBL854855

CCCCNc1ccc(C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
ABL1 P00519 1/20 0.44
CASR P41180 1/20 0.41
LMNA P02545 2/20 0.41
SCN5A Q14524 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
DRD4 P21917 1/20 0.41
ACHE P22303 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NTSR1 P30989 1/20 0.41

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
SCHEMBL25562305 0.89 EPHX1 (0.54) EPHX1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL12963093 0.88 EPHX1 (0.46) EPHX1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL2493444 0.86 LMNA (0.42) EPHX1RAB9AABL1LMNASCN5A
SCHEMBL2064181 0.85 MAPT (0.54) EPHX1SMN1; SMN2L3MBTL1HPGDLMNA
SCHEMBL181559 0.85 MAPT (0.52) RAB9AABL1LMNASCN5AMAPK1
SCHEMBL11117632 0.82 STK17B (0.45) EPHX1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL11113503 0.82 ALDH1A1 (0.47) EPHX1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL103979 0.82 STK17A (0.55) EPHX1LMNASIGMAR1MAPTKDM4E
SCHEMBL18596193 0.82 EPHX1 (0.45) EPHX1SMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL20643916 0.81 EPHX1 (0.43) EPHX1SMN1; SMN2RAB9AL3MBTL1HPGD

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
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 US disclosed
US-10765681-B2 Purine compounds possessing anticancer activity ACADEMIA SINICA (TW) 2020-09-08 US disclosed
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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 (3 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-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 EPHX1 2045/4885SMN1; SMN2 796/4885RAB9A 1124/4885
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 EPHX1 1587/4885SMN1; SMN2 1060/4885RAB9A 2045/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 EPHX1 1483/4885SMN1; SMN2 1526/4885RAB9A 1454/4885

“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.