SCHEMBL5248989

SCHEMBL5248989

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.42
CALCRL Q16602 1/20 0.42
ADRB2 P07550 2/20 0.37
CCR3 P51677 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CHRM4 P08173 1/20 0.35
CCR2 P41597 2/20 0.34
KCNH2 Q12809 2/20 0.34
LRRK2 Q5S007 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TEAD1 P28347 1/20 0.33
OPRL1 P41146 1/20 0.32
CHRM1 P11229 1/20 0.32
ENPP2 Q13822 1/20 0.32
EPHX2 P34913 1/20 0.32
SLC9A1 P19634 1/20 0.31

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
SCHEMBL5326014 0.93 ACACB (0.35) RAMP1CALCRLHRH3CHRM4ACACB
SCHEMBL4849662 0.89 RAMP1 (0.41) RAMP1CALCRLADRB2CCR3HRH3
SCHEMBL5250813 0.86 CCR3 (0.38) CCR3HRH3CHRM4LRRK2ACACB
SCHEMBL3282588 0.85 ACACB (0.39) HRH3CHRM4ACACBACACATEAD1
SCHEMBL5249986 0.84 CCR3 (0.37) CCR3HRH3LRRK2ACACBACACA
SCHEMBL4718767 0.81 ADRB2 (0.37) RAMP1CALCRLADRB2LRRK2ENPP2
SCHEMBL4720727 0.81 ADRB2 (0.37) RAMP1CALCRLADRB2LRRK2ENPP2
SCHEMBL4798589 0.81 TEAD1 (0.36) RAMP1CALCRLADRB2CCR2KCNH2
SCHEMBL4804839 0.80 TEAD1 (0.39) RAMP1CALCRLADRB2TEAD1OPRL1
SCHEMBL3278696 0.79 ACACB (0.36) CCR3HRH3ACACBACACATEAD1

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
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
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
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
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 RAMP1 314/4885CALCRL 5/4885ADRB2 24/4885
US-20070249592-A1 Use of selected CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients CALCA, CALCB, BDKRB2 RAMP1 303/4885CALCRL 5/4885ADRB2 27/4885

“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.