SCHEMBL1590838

SCHEMBL1590838

Cc1ccccc1CCC(=O)Nc1cccc2c(=O)n(C(C)CO)ccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.58
POLB P06746 2/20 0.41
NOTUM Q6P988 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RORC P51449 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1591045 0.88 P2RX7 (0.56) P2RX7ALDH1A1TP53
SCHEMBL13046667 0.83 LMNA (0.46) POLBNOTUMLMNAALDH1A1TP53
SCHEMBL1590373 0.83 P2RX7 (0.59) P2RX7POLBLMNARORC
SCHEMBL1590393 0.82 ALDH1A1 (0.41) P2RX7POLBNOTUMLMNAALDH1A1
SCHEMBL1590635 0.81 P2RX7 (0.43) P2RX7POLBLMNAALDH1A1RORC
SCHEMBL1590377 0.81 P2RX7 (0.59) P2RX7LMNAALDH1A1TSHR
SCHEMBL1590357 0.80 P2RX7 (0.58) P2RX7POLBALDH1A1TP53
SCHEMBL1590904 0.79 P2RX7 (0.56) P2RX7POLB
SCHEMBL13046654 0.79 ALDH1A1 (0.44) P2RX7POLBNOTUMLMNAALDH1A1
SCHEMBL1591286 0.79 P2RX7 (0.56) P2RX7POLBALDH1A1TP53TSHR

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-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885NOTUM 4392/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885NOTUM 4392/4885

“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.