SCHEMBL15760264

SCHEMBL15760264

Cc1cn2cccc2c(N2CC[C@H](N)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
OGFRL1 Q5TC84 3/20 0.42
GRM5 P41594 5/20 0.39
AKT1 P31749 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ACKR3 P25106 2/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KHK P50053 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL15758904 1.00 OPRM1 (0.42) OPRM1OPRD1OPRK1OGFRL1GRM5
Hydrochloric Acid SCHEMBL15754196 0.99 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1GRM5
SCHEMBL15758719 0.84 HRH4 (0.46) OPRM1OPRD1OPRK1OGFRL1AKT1
SCHEMBL15758329 0.84 ACKR3 (0.52) OPRM1OPRD1OPRK1OGFRL1AKT1
SCHEMBL15760241 0.84 HRH4 (0.46) OPRM1OPRD1OPRK1OGFRL1AKT1
SCHEMBL15760254 0.84 ACKR3 (0.52) OPRM1OPRD1OPRK1OGFRL1AKT1
Hydrochloric Acid SCHEMBL15758737 0.83 HRH4 (0.45) OPRM1OPRD1OPRK1OGFRL1AKT1
Hydrochloric Acid SCHEMBL15754831 0.83 ACKR3 (0.52) OPRM1OPRD1OPRK1OGFRL1MKNK1
Hydrochloric Acid SCHEMBL15758950 0.83 ACKR3 (0.52) OPRM1OPRD1OPRK1OGFRL1MKNK1
Hydrochloric Acid SCHEMBL15753990 0.83 HRH4 (0.45) OPRM1OPRD1OPRK1OGFRL1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
US-11059825-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
US-10287292-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2019-05-14 US disclosed
EP-2925745-B1 CXCR7 ANTAGONISTS CHEMOCENTRYX INC (US) 2018-04-04 EP disclosed
US-20180086766-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-20180086766-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-9783544-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-9783544-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160145259-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2016-05-26 US disclosed
US-20160145259-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2016-05-26 US disclosed
US-9169261-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2015-10-27 US disclosed
US-9169261-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2015-10-27 US disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
WO-2014085490-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 WO disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 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 (7 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-10287292-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885
US-20180086766-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885
US-11059825-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885
US-20160145259-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885
US-20140154179-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 OPRM1 140/4885OPRD1 65/4885OPRK1 94/4885

“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.