SCHEMBL5326014

SCHEMBL5326014

NC(=O)N1CCN(C2CCN(C(=O)[CH]Cc3cc(C(F)(F)F)c(N)c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
RAMP1 O60894 1/20 0.35
CALCRL Q16602 1/20 0.35
TEAD1 P28347 1/20 0.33
L3MBTL3 Q96JM7 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
SLC9A1 P19634 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM4 P08173 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5248989 0.93 RAMP1 (0.42) ACACBACACARAMP1CALCRLTEAD1
SCHEMBL3282588 0.89 ACACB (0.39) ACACBACACATEAD1L3MBTL3L3MBTL1
SCHEMBL3278696 0.83 ACACB (0.36) ACACBACACATEAD1L3MBTL3L3MBTL1
SCHEMBL5660550 0.83 CALCA (0.40) ACACBACACA
SCHEMBL5659967 0.83 CALCA (0.40) ACACBACACA
SCHEMBL4849662 0.82 RAMP1 (0.41) RAMP1CALCRLL3MBTL3L3MBTL1KDM4E
SCHEMBL5250813 0.80 CCR3 (0.38) ACACBACACAL3MBTL3L3MBTL1KDM4E
SCHEMBL5249986 0.78 CCR3 (0.37) ACACBACACAL3MBTL3L3MBTL1KDM4E
SCHEMBL3285188 0.76 CCR5 (0.41) ACACBACACAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3284870 0.76 CCR5 (0.41) ACACBACACAL3MBTL3L3MBTL1ALDH1A1

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 8 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 claimed
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 claimed
WO-2006069754-A9 USE OF CGRP ANTAGONISTS IN TREATMENT AND PREVENTION OF HOT FLUSHES IN PROSTATE CANCER PATIENTS BOEHRINGER INGELHEIM INT (DE) 2007-08-09 WO claimed
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 claimed
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 claimed
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
WO-2006069754-A9 USE OF CGRP ANTAGONISTS IN TREATMENT AND PREVENTION OF HOT FLUSHES IN PROSTATE CANCER PATIENTS BOEHRINGER INGELHEIM INT (DE) 2007-08-09 WO 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

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 ACACB 2927/4885ACACA 2316/4885RAMP1 314/4885
US-20070249592-A1 Use of selected CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients CALCA, CALCB, BDKRB2 ACACB 3022/4885ACACA 2368/4885RAMP1 303/4885

“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.