SCHEMBL13599998

SCHEMBL13599998

Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SLC34A1 Q06495 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL3277283 0.77 MAPT (0.54) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL27140538 0.77 MAPT (0.51) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL18997090 0.75 MAPT (0.47) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL19002335 0.73 SMN1; SMN2 (0.50) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL17772776 0.72 MAPT (0.46) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL29957380 0.70 CCNA2 (0.45) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL1302323 0.70 MAPT (0.50) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL19086965 0.70 SMN1; SMN2 (0.47) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL31199074 0.70 MAPT (0.49) MAPTXBP1HTTNPSR1CCNA2
SCHEMBL19049307 0.69 SMN1; SMN2 (0.46) MAPTXBP1HTTNPSR1CCNA2

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-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 — — US disclosed
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 MAPT 4419/4885XBP1 2315/4885HTT 2169/4885

“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.

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