SCHEMBL4070760

SCHEMBL4070760

O=C([CH]CC1CCCCC1)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.64
HPGD P15428 2/20 0.56
EPHX1 P07099 1/20 0.56
ALDH1A1 P00352 5/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EPHX2 P34913 1/20 0.50
CNR1 P21554 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4073984 0.80 KMT2A (0.55) RAB9ANPC1HPGDALDH1A1KMT2A
SCHEMBL4069435 0.80 EPHX2 (0.60) RAB9ANPC1HPGDEPHX1LMNA
SCHEMBL14724834 0.78 RAB9A (1.00) RAB9ANPC1HPGDEPHX1ALDH1A1
SCHEMBL13118269 0.76 RAB9A (0.97) RAB9ANPC1HPGDEPHX1ALDH1A1
SCHEMBL4070763 0.76 NPC1 (0.73) RAB9ANPC1HPGDEPHX1ALDH1A1
SCHEMBL4073041 0.75 ALDH1A1 (0.62) HPGDEPHX1ALDH1A1LMNACYP2D6
SCHEMBL27839057 0.75 ALDH1A1 (0.62) HPGDEPHX1ALDH1A1LMNACYP2D6
SCHEMBL4065001 0.75 HCAR2 (0.50) RAB9ANPC1EPHX1ALDH1A1LMNA
SCHEMBL507837 0.74 ALDH1A1 (0.90) RAB9ANPC1HPGDEPHX1ALDH1A1
SCHEMBL1416058 0.74 ALDH1A1 (0.61) ALDH1A1LMNACYP2D6CYP2C19SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 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 (1 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 RAB9A 1702/4885NPC1 1009/4885HPGD 1527/4885

“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.