SCHEMBL16035129

SCHEMBL16035129

Cc1nc2c(c(-c3ccccn3)n1)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.45
HTR2A P28223 3/20 0.45
HTR2B P41595 3/20 0.45
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 1/20 0.41
P2RX7 Q99572 3/20 0.36
NISCH Q9Y2I1 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 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
SCHEMBL183873 0.80 HTR2C (0.59) HTR2CHTR2AHTR2BP2RX7
SCHEMBL1549756 0.80 P2RX7 (0.43) HTR2CHTR2AHTR2BKDM4ENPC1
Hydrochloric Acid SCHEMBL1550409 0.79 P2RX7 (0.42) HTR2CHTR2AHTR2BKDM4ENPC1
SCHEMBL1550749 0.73 CD44 (0.42) KDM4ENPC1NISCHLMNACCR1
SCHEMBL16034708 0.72 HTR2A (0.60) HTR2CHTR2AHTR2B
SCHEMBL183957 0.70 HTR2C (0.74) HTR2CHTR2AHTR2B
SCHEMBL17297897 0.69 HTR2A (0.44) HTR2CHTR2AHTR2BKDM4E
SCHEMBL7881677 0.69 HTR2C (0.48) HTR2CKDM4ENPC1NISCHLMNA
SCHEMBL504290 0.67 GRM5 (0.54) KDM4ENPC1CYP1A2POLBTP53
SCHEMBL15859963 0.66 HTR2A (0.39) HTR2CHTR2AHTR2B

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 US disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 US disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 US disclosed
EP-3112366-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed
EP-3112366-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed
EP-2970271-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-08 EP disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US disclosed
US-20160024082-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
WO-2014152589-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 HTR2C 503/4885HTR2A 319/4885HTR2B 265/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 HTR2C 458/4885HTR2A 333/4885HTR2B 268/4885
US-20160024082-A1 P2X7 MODULATORS P2RX1, P2RX5, P2RX3 HTR2C 114/4885HTR2A 66/4885HTR2B 64/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 HTR2C 503/4885HTR2A 319/4885HTR2B 265/4885

“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.