SCHEMBL3496872

SCHEMBL3496872

O=c1c2ncc3c(c(CN4CCCCC4CO)cn3Cc3ccc(F)cc3)c2ccn1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 6/20 0.40
▸ SPHK2 Q9NRA0 4/20 0.40
▸ VEGFA P15692 2/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MCHR1 Q99705 1/20 0.33
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNG7 P62955 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33

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
SCHEMBL4965332 0.85 CACNB4 (0.46) ALDH1A1MCHR1CACNB4CACNA1ACACNA1G
SCHEMBL3495599 0.85 GRM2 (0.41) SPHK1RXFP1
SCHEMBL3496696 0.85 GRM2 (0.41) SPHK1RXFP1
SCHEMBL4962127 0.84 CACNB4 (0.36) ALDH1A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL13311238 0.83 KCNH2 (0.39) RXFP1MCHR1CACNB4CACNA1ACACNA1G
SCHEMBL4964868 0.82 CYP19A1 (0.39) ALDH1A1CNR2LMNAMEN1KMT2A
SCHEMBL3494723 0.82 MCHR1 (0.39) ENPP2RXFP1ALDH1A1MCHR1CACNB4
SCHEMBL3495130 0.81 KMT2A (0.43) ENPP2ALDH1A1MCHR1CACNB4CACNA1A
SCHEMBL3494652 0.80 CACNB4 (0.40) ALDH1A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3496066 0.80 CACNB4 (0.40) ENPP2ALDH1A1MCHR1CACNB4CACNA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP SPHK1 3826/4885SPHK2 4218/4885VEGFA 4480/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP SPHK1 3826/4885SPHK2 4218/4885VEGFA 4480/4885

“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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