SCHEMBL7106789

SCHEMBL7106789

Fc1ccc(CCN2CCC(Sc3nc4ncccc4[nH]3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 4/20 0.55
NPC1 O15118 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GRIN2B Q13224 2/20 0.52
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.42
BACE1 P56817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRCP P42785 2/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 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
SCHEMBL7033963 0.84 RAB9A (0.52) RAB9ASMN1; SMN2NPC1GRIN2BKCNH2
SCHEMBL7027681 0.79 HTR2A (0.49) KCNH2PRCPHTR2AHTR2CHTR7
SCHEMBL7501576 0.77 KCNH2 (0.49) KCNH2PRCPHTR2AHTR2CHTR7
SCHEMBL7028399 0.76 PRCP (0.50) KCNH2PRCPHTR2AHTR2CHTR7
SCHEMBL7028334 0.76 MEN1 (0.43) RAB9ANPC1NPSR1KCNH2ALDH1A1
SCHEMBL7106088 0.74 HTR2A (0.39) GRIN2BKCNH2PRCPHTR2AHTR2C
SCHEMBL7026680 0.72 HTR2A (0.55) KCNH2HTR2AHTR2CHTR7HTR6
SCHEMBL7027762 0.72 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7026932 0.72 OPRM1 (0.45) PRCPHTR2AHTR2CHTR7HTR6
SCHEMBL7032512 0.71 CARM1 (0.57) HTR2AHTR2CHTR7HTR6

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 2001/4885SMN1; SMN2 430/4885TP53 4429/4885

“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.