SCHEMBL17801926

SCHEMBL17801926

CCN1CCN(Cc2ccc(OC)cc2)c2c(cccc2NCC(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC1 Q13547 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL19582489 0.78 SIGMAR1 (0.46) TNFNOD2NOD1SIGMAR1LMNA
SCHEMBL28463706 0.77 TNF (0.39) FAAHTNFNOD2NOD1SIGMAR1
SCHEMBL19582581 0.76 DCTPP1 (0.44) SIGMAR1LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL17801875 0.76 ACKR3 (0.47) FAAHTNFNOD2NOD1SIGMAR1
SCHEMBL15858043 0.70 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL16268966 0.69 PNMT (0.44) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17801966 0.69 ACKR3 (0.56)
SCHEMBL17802019 0.66 ACKR3 (0.58) TP53
SCHEMBL19177963 0.65 ACKR3 (0.50)
SCHEMBL17207997 0.64 KDM4E (0.65) TP53ALOX15ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-3227263-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-10-11 EP disclosed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 WO 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 FAAH 1447/4885TNF 2704/4885NOD2 1853/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 FAAH 1514/4885TNF 1978/4885NOD2 1920/4885

“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.