SCHEMBL4507550

SCHEMBL4507550

Cc1ccc2nc(N3CC[C@H](NC(=O)O)C3)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.54
MCHR1 Q99705 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4510582 0.95 P2RX7 (0.56) P2RX7EPHX1LMNASMN1; SMN2GAA
SCHEMBL4518526 0.94 P2RX7 (0.49) P2RX7MCHR1EPHX1LMNASMN1; SMN2
SCHEMBL13958661 0.93 P2RX7 (0.54) P2RX7EPHX1LMNASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4508098 0.92 P2RX7 (0.53) P2RX7LMNASMN1; SMN2GAACYP2C19
SCHEMBL13958662 0.92 P2RX7 (0.53) P2RX7EPHX1LMNASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4506962 0.91 P2RX7 (0.52) P2RX7EPHX1LMNASMN1; SMN2GAA
SCHEMBL13958663 0.90 P2RX7 (0.57) P2RX7LMNASMN1; SMN2GAACYP2C19
SCHEMBL4507891 0.90 P2RX7 (0.56) P2RX7LMNASMN1; SMN2GAACYP2C19
SCHEMBL6529019 0.90 P2RX7 (0.56) P2RX7LMNASMN1; SMN2GAACYP2C19
Hydrochloric Acid SCHEMBL4510959 0.89 P2RX7 (0.57) P2RX7LMNASMN1; SMN2GAACYP2C19

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-20080182874-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-07-31 US claimed
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20080182874-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-07-31 US disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 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 (3 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-20080182874-A1 Novel Compounds REN, F12, GPR119 P2RX7 1672/4885MCHR1 1504/4885EPHX1 458/4885
US-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D P2RX7 554/4885MCHR1 156/4885EPHX1 598/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885MCHR1 198/4885EPHX1 510/4885

“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.