SCHEMBL17801948

SCHEMBL17801948

Nc1cccc2c1OCCN(CC1CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.43
GRM2 Q14416 7/20 0.39
KCNH2 Q12809 6/20 0.39
GRM5 P41594 3/20 0.39
TNIK Q9UKE5 1/20 0.37
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL17801908 0.82 ACKR3 (0.41) ACKR3TNIKCYP1B1
SCHEMBL19582463 0.80 GRM2 (0.50) ACKR3GRM2KCNH2GRM5
SCHEMBL19582252 0.79 ACKR3 (0.46) ACKR3GRM2KCNH2TNIK
SCHEMBL19582537 0.77 ACKR3 (0.57) ACKR3
Hydrochloric Acid SCHEMBL16268410 0.76 GRM5 (0.45) GRM2KCNH2GRM5HTR2BTMEM97
SCHEMBL19582548 0.74 ACKR3 (0.44) ACKR3GRM2KCNH2GRM5HTR2B
SCHEMBL17802028 0.68 ACKR3 (0.43) ACKR3KCNH2
SCHEMBL5839987 0.67 GRM5 (0.44) GRM2KCNH2GRM5CYP1B1
SCHEMBL5839594 0.66 GRM2 (0.49) GRM2KCNH2GRM5CYP1B1
SCHEMBL3993011 0.66 LMNA (0.44) GRM5

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 ACKR3 8/4885GRM2 877/4885KCNH2 2619/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ACKR3 9/4885GRM2 961/4885KCNH2 2404/4885

“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.