SCHEMBL13600092

SCHEMBL13600092

Cc1nn(-c2ccc(C(F)(F)F)nn2)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.33
SLC34A1 Q06495 4/20 0.33
POLB P06746 2/20 0.33
OGA O60502 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL13600093 0.81 HTT (0.35) RAB9ASMN1; SMN2MAPTPOLBOGA
SCHEMBL14434720 0.80 LMNA (0.44) RAB9AMAPTPOLBNPSR1CYP1A2
SCHEMBL4754412 0.75 PDE4D (0.55) MAPTSLC34A1KDM4E
SCHEMBL3295796 0.67 TRPV4 (0.48) OGACA2KDM4ELMNA
SCHEMBL22199098 0.65 NR2E1 (0.42) SMN1; SMN2OGACYP1A2
SCHEMBL30612218 0.64 HSP90AA1 (0.39) MAPTOGAHTTKDM4ELMNA
SCHEMBL335132 0.64 HSP90AA1 (0.39) MAPTOGAHTTKDM4ELMNA
SCHEMBL18231638 0.63 OGA (0.42) OGA
SCHEMBL12683424 0.63 OGA (0.42) OGA
SCHEMBL29559615 0.62 OGA (0.34) OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 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-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 RAB9A 2194/4885SMN1; SMN2 4359/4885MAPT 4419/4885

“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.