SCHEMBL3860431

SCHEMBL3860431

COc1ccc(NC(C)=O)c(OC[C@H]2CO2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MAPT P10636 4/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
AHR P35869 1/20 0.48
PTK2 Q05397 1/20 0.47
PPP1CA P62136 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL3815180 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B1HSD17B2MAPTCYP1A1
SCHEMBL4214562 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B1HSD17B2MAPTCYP1A1
SCHEMBL6206966 0.89 ALDH1A1 (0.44) ALDH1A1HSD17B1HSD17B2MAPTMEN1
SCHEMBL1786969 0.89 ALDH1A1 (0.44) ALDH1A1HSD17B1HSD17B2MAPTMEN1
SCHEMBL3205373 0.85 TSHR (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3806023 0.85 TSHR (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3805744 0.85 EPHX1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5205180 0.85 TSHR (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4214493 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNA
SCHEMBL3222025 0.84 TSHR (0.46) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-7524856-B2 Tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ASTRAZENECA AB (SE) 2007-05-03 US disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (4 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1465/4885HSD17B1 2178/4885HSD17B2 2219/4885
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ACKR3, CXCR1, CXCR2 ALDH1A1 707/4885HSD17B1 507/4885HSD17B2 588/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885HSD17B1 2046/4885HSD17B2 2044/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 ALDH1A1 946/4885HSD17B1 475/4885HSD17B2 594/4885

“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.