SCHEMBL12316613

SCHEMBL12316613

CN1CCC(Oc2cc3c(cc2Cl)C(=O)CCO3)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
SLC6A4 P31645 2/20 0.40
SCD O00767 2/20 0.38
SLC5A7 Q9GZV3 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
FPR2 P25090 2/20 0.36
PROKR1 Q8TCW9 2/20 0.36
SRC P12931 2/20 0.36
IDH1 O75874 1/20 0.35
KMO O15229 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12316612 0.86 PRMT5 (0.40) HTR1ASLC6A4MAOBMAOAPRMT5
SCHEMBL12316638 0.86 CSNK2A1 (0.43) HTR1ASLC6A4MAOBMAOAKMO
SCHEMBL12316617 0.82 MAP2K1 (0.40) MAOBMAOA
SCHEMBL12316615 0.82 GPR119 (0.54) PRMT5WDR77
SCHEMBL12316547 0.81 SCD (0.40) SCDSLC5A7MAOBMAOAFPR2
SCHEMBL12316577 0.78 KAT2B (0.43) HTR1ASLC6A4MAOBMAOA
SCHEMBL30888618 0.77 MAOB (0.44) HTR1ASLC6A4MAOBMAOA
SCHEMBL12316620 0.74 ALDH1A1 (0.43) HTR1ASLC6A4MAOBMAOAMEN1
SCHEMBL12316669 0.73 PRMT5 (0.40) HTR1ASLC6A4MAOBMAOAPRMT5
SCHEMBL12316646 0.73 IKBKB (0.38) PRMT5WDR77MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 HTR1A 629/4885SLC6A4 117/4885SCD 1926/4885

“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.