SCHEMBL7029110

SCHEMBL7029110

O=S(=O)(c1cccc2cnccc12)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.57
PRKCG P05129 3/20 0.57
PRKCB P05771 3/20 0.57
CYP3A4 P08684 3/20 0.57
PRKCA P17252 3/20 0.57
PRKCH P24723 3/20 0.57
PRKCI P41743 3/20 0.57
PRKCE Q02156 3/20 0.57
PRKCQ Q04759 3/20 0.57
PRKCZ Q05513 3/20 0.57
PRKCD Q05655 3/20 0.57
PRKD1 Q15139 3/20 0.57
ADORA3 P0DMS8 2/20 0.57
PRKACA P17612 2/20 0.57
PRKACG P22612 2/20 0.57
PRKACB P22694 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
ROCK2 O75116 13/20 0.55

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
SCHEMBL10987738 0.90 P2RX7 (0.65) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL7029577 0.87 GPR183 (0.54) HTR1AMEN1KMT2AKCNH2SMN1; SMN2
SCHEMBL16712976 0.86 ROCK2 (0.57) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL10980155 0.82 PRKD3 (0.65) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL7027668 0.81 FABP1 (0.65) HTR2A
SCHEMBL10983918 0.80 PRKD3 (0.67) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL10983794 0.79 P2RX7 (0.64) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL7028323 0.79 POLB (0.50) CYP3A4CYP1A2HTR1ACYP2D6MEN1
SCHEMBL2905832 0.79 ROCK2 (0.61) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL29120406 0.79 PRKD3 (0.60) PRKD3PRKCGPRKCBCYP3A4PRKCA

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 PRKD3 2270/4885PRKCG 2893/4885PRKCB 2840/4885

“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.