SCHEMBL5528776

SCHEMBL5528776

O=C1c2c(O)c(=O)ccn2C(CCN2CCCC2)CN1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.36
HTT P42858 1/20 0.36
MCHR1 Q99705 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTR2C P28335 1/20 0.36
APP P05067 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5532686 0.91 NPC1 (0.38) SIGMAR1
SCHEMBL5527819 0.82 SMN1; SMN2 (0.46) HTTMCHR1ALDH1A1APPHRH3
SCHEMBL5523533 0.81 HTT (0.44) HTTALDH1A1POLB
SCHEMBL5531634 0.78 HTT (0.38) HTTALDH1A1POLBKCNH2
SCHEMBL5523548 0.78 HTT (0.38) HTTALDH1A1POLB
SCHEMBL13873904 0.76 MAPT (0.41) HTTALDH1A1
SCHEMBL5531608 0.73 HTT (0.40) HTT
SCHEMBL4315112 0.71 KMT2A (0.37) ALDH1A1KCNH2
SCHEMBL4318944 0.71 LIPG (0.37) ALDH1A1SIGMAR1
SCHEMBL4153042 0.70 RAB9A (0.46) HTTMCHR1ALDH1A1POLBHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US claimed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 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 (2 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP CACNA1G 2778/4885HTT 4407/4885MCHR1 4264/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR CACNA1G 2634/4885HTT 4399/4885MCHR1 4111/4885

“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.