SCHEMBL5250813

SCHEMBL5250813

Cc1cc(C[CH]C(=O)N2CCN(C3CCN(C(N)=O)CC3)CC2)cc(Cl)c1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.38
HRH3 Q9Y5N1 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HTR4 Q13639 2/20 0.36
CCR5 P51681 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL5249986 0.90 CCR3 (0.37) CCR3HRH3L3MBTL3L3MBTL1LRRK2
SCHEMBL4722465 0.88 CCR3 (0.41) CCR3HRH3L3MBTL3L3MBTL1LRRK2
SCHEMBL3314680 0.88 CCR3 (0.41) CCR3HRH3L3MBTL3L3MBTL1LRRK2
SCHEMBL5248989 0.86 RAMP1 (0.42) CCR3HRH3LRRK2ACACBACACA
SCHEMBL4717935 0.86 CCR5 (0.36) CCR3HRH3L3MBTL3L3MBTL1CCR5
SCHEMBL3311181 0.86 CCR5 (0.36) CCR3HRH3L3MBTL3L3MBTL1CCR5
SCHEMBL3284870 0.84 CCR5 (0.41) CCR3L3MBTL3L3MBTL1CCR5ACACB
SCHEMBL3285188 0.84 CCR5 (0.41) CCR3L3MBTL3L3MBTL1CCR5ACACB
SCHEMBL4717841 0.81 CCR5 (0.39) CCR3HRH3L3MBTL3L3MBTL1CCR5
SCHEMBL4718312 0.81 CCR5 (0.39) CCR3HRH3L3MBTL3L3MBTL1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249592-A1 Use of selected CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients RUDOLF KLAUS 2007-10-25 US disclosed
EP-1833484-A1 USE OF CGRP ANTAGONISTS IN TREATMENT AND PREVENTION OF HOT FLUSHES IN PROSTATE CANCER PATIENTS Boehringer Ingelheim International GmbH (DE) 2007-09-19 EP disclosed
US-20060154921-A1 Use of CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 US disclosed
WO-2006069754-A1 USE OF CGRP ANTAGONISTS IN TREATMENT AND PREVENTION OF HOT FLUSHES IN PROSTATE CANCER PATIENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 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-20060154921-A1 Use of CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients CALCA, CALCB, CALCR CCR3 689/4885HRH3 78/4885L3MBTL3 4703/4885
US-20070249592-A1 Use of selected CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients CALCA, CALCB, BDKRB2 CCR3 726/4885HRH3 84/4885L3MBTL3 4647/4885

“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.