SCHEMBL7032730

SCHEMBL7032730

Fc1ccccc1CCN1CCC(Sc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
GRIN2B Q13224 3/20 0.47
GRIN2A Q12879 2/20 0.47
CHRNA7 P36544 1/20 0.47
GRIN2C Q14957 1/20 0.46
GRM2 Q14416 1/20 0.43
KCNH2 Q12809 2/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DDB1 Q16531 1/20 0.40

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
SCHEMBL7033473 0.90 KCNH2 (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7033963 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1GRIN2B
SCHEMBL7033285 0.84 GRIN2A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7024605 0.75 HTR2A (0.49) DRD4
SCHEMBL7027370 0.74 CARM1 (0.48) KCNH2
SCHEMBL7026100 0.73 MEN1 (0.48) GRM2KCNH2CYP1A2
SCHEMBL7029919 0.72 KMT2A (0.47) KCNH2
SCHEMBL7032862 0.72 HRH3 (0.47) GRM2KCNH2
SCHEMBL4770806 0.70 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7106789 0.69 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A RAB9A 2001/4885NPC1 1592/4885SMN1; SMN2 430/4885

“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.