SCHEMBL7033285

SCHEMBL7033285

Fc1ccc(CCN2CCC(Sc3nc4ccccc4[nH]3)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
CHRNA7 P36544 1/20 0.42
GRIN2C Q14957 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KCNH2 Q12809 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.37

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) GRIN2AGRIN2BCHRNA7GRIN2CRAB9A
SCHEMBL7032730 0.84 RAB9A (0.52) GRIN2AGRIN2BCHRNA7GRIN2CRAB9A
SCHEMBL7033963 0.84 RAB9A (0.52) GRIN2AGRIN2BCHRNA7GRIN2CRAB9A
SCHEMBL7025543 0.79 HTR2A (0.52) CHRNA7LMNAKCNH2DRD2HTR2A
SCHEMBL7497311 0.75 CNR1 (0.42) KCNH2DRD2HTR2AHTR2C
SCHEMBL7024620 0.73 P2RX7 (0.46) RAB9ANPC1LMNAHTTKCNH2
SCHEMBL7955986 0.71 HTR2A (0.67) KCNH2DRD2HTR2AHTR2C
SCHEMBL7106789 0.69 RAB9A (0.55) GRIN2BRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7023948 0.67 KCNH2 (0.49) KCNH2DRD2HTR2AHTR2C
SCHEMBL7031635 0.67 HTR2A (0.57) KCNH2DRD2HTR2AHTR2C

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 GRIN2A 12/4885GRIN2B 25/4885CHRNA7 201/4885

“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.