SCHEMBL17802004

SCHEMBL17802004

CCN1CCOc2c(cccc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACKR3 P25106 8/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
MEN1 O00255 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
SCHEMBL19582241 0.86 ACKR3 (0.43) CYP1A2CYP2D6CYP2C19ACKR3
SCHEMBL17801978 0.84 ACKR3 (0.40) KMT2ACYP1A2CYP2D6CYP2C19ACKR3
SCHEMBL20873632 0.76 ACKR3 (0.39) MAPTACKR3
SCHEMBL17801970 0.75 MAPT (0.39) KMT2ALMNAMAPTCYP1A2CYP2C19
SCHEMBL8331252 0.75 MAPT (0.45) KMT2ALMNAMAPTCYP1A2CYP2C19
SCHEMBL19582451 0.74 MAPT (0.41) KMT2ALMNAMAPTCYP1A2CYP2C19
SCHEMBL8948801 0.74 PARP1 (0.49) KMT2AMAPT
SCHEMBL10659420 0.71 ALDH1A1 (0.42) KMT2AMAPTCHRNB4CHRNA3MEN1
SCHEMBL20873625 0.71 LMNA (0.38) KMT2ALMNAMAPTCHRNB4CHRNA3
SCHEMBL17801966 0.70 ACKR3 (0.56) ACKR3

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 KMT2A 4322/4885LMNA 4407/4885MAPT 4603/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 KMT2A 4313/4885LMNA 3981/4885MAPT 4692/4885

“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.