SCHEMBL29794136

SCHEMBL29794136

Cc1nnc2n1CCNC2c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
AVPR1A P37288 10/20 0.38
TACR3 P29371 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
GFER P55789 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL17596684 1.00 ALDH1A1 (0.40) ALDH1A1MAPTAVPR1ATACR3KDM4E
SCHEMBL17595643 0.80 KDM4E (0.43) ALDH1A1AVPR1ATACR3KDM4EP2RX7
SCHEMBL930214 0.72 TACR3 (0.52) TACR3SMN1; SMN2NPC1TP53TSHR
SCHEMBL14635101 0.72 TACR3 (0.52) TACR3SMN1; SMN2NPC1TP53TSHR
Hydrochloric Acid SCHEMBL14634796 0.71 TACR3 (0.51) TACR3SMN1; SMN2NPC1TP53TSHR
Hydrochloric Acid SCHEMBL2565540 0.71 TACR3 (0.51) TACR3SMN1; SMN2NPC1TP53TSHR
SCHEMBL930180 0.69 TACR3 (0.54) TACR3
SCHEMBL2419530 0.67 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL12324357 0.67 PLD1 (0.41) ALDH1A1MAPTKDM4ENPC1GFER
SCHEMBL15415552 0.66 CRBN (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
US-20220235062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-28 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 (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-20220235062-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 ALDH1A1 1107/4885MAPT 4307/4885AVPR1A 746/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 ALDH1A1 1107/4885MAPT 4307/4885AVPR1A 746/4885

“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.