SCHEMBL3216213

SCHEMBL3216213

O=C(OCc1ccccc1)N1CCC(O)(CNC2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX1 P07099 1/20 0.47
GRIN2B Q13224 3/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ENPP2 Q13822 2/20 0.46
ATXN2 Q99700 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR5 P51681 2/20 0.45

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
SCHEMBL20843168 0.90 KDM1A (0.62) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3230414 0.82 KDM1A (0.57) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11360234 0.81 KDM1A (0.59) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2449434 0.80 KDM1A (0.58) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL23460614 0.78 KDM1A (0.48) KDM1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL23460616 0.78 KDM1A (0.48) KDM1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31382449 0.78 SMN1; SMN2 (0.56) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31382451 0.78 SMN1; SMN2 (0.56) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2621377 0.78 MEN1 (0.59) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4830010 0.78 MEN1 (0.59) KDM1ASMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 KDM1A 1046/4885SMN1; SMN2 894/4885NPC1 217/4885

“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.