SCHEMBL13600093

SCHEMBL13600093

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 2/20 0.32
PTGS2 P35354 2/20 0.32
ALOX15 P16050 2/20 0.31
PDPK1 O15530 2/20 0.31
PTGES O14684 1/20 0.31
HDAC3 O15379 1/20 0.31
CA12 O43570 1/20 0.31
PDE5A O76074 1/20 0.31
ABCB11 O95342 1/20 0.31
MT-CO2 P00403 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL13600092 0.81 RAB9A (0.35) HTTLMNAMAPTXBP1NPSR1
SCHEMBL13600042 0.77 HTT (0.39) HTTLMNAMAPTALDH1A1CYP2C9
SCHEMBL14434720 0.77 LMNA (0.44) LMNAMAPTNPSR1RAB9ACYP2C9
SCHEMBL13600085 0.72 HTT (0.40) HTTLMNAMAPTALDH1A1RAB9A
SCHEMBL5904596 0.72 BRAF (0.43) HTTLMNACYP2C9PTGS2ALOX15
SCHEMBL24554045 0.69 KMT2A (0.55) HTTLMNAMAPTALDH1A1RAB9A
SCHEMBL123248 0.68 ALDH1A1 (0.52) HTTLMNAMAPTALDH1A1RAB9A
SCHEMBL27950463 0.67 LMNA (0.50) HTTLMNAMAPTCYP2C9PTGS2
SCHEMBL15330271 0.67 SMN1; SMN2 (0.40) HTTLMNAMAPTNPSR1ALDH1A1
SCHEMBL15332227 0.67 SMN1; SMN2 (0.52) HTTLMNAMAPTNPSR1ALDH1A1

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 2 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

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 HTT 2169/4885LMNA 4587/4885MAPT 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.