SCHEMBL4472287

SCHEMBL4472287

CN1CCN(C2CCN(C(=O)C(Cc3cc(Cl)c(N)c(C(F)(F)F)c3)OS(=O)(=O)O)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 2/20 0.55
CALCRL Q16602 2/20 0.55
SLC6A5 Q9Y345 5/20 0.35
DYRK1A Q13627 1/20 0.34
ADRB2 P07550 2/20 0.33
CCR10 P46092 5/20 0.33
RET P07949 2/20 0.33
ROS1 P08922 2/20 0.33
FLT3 P36888 2/20 0.33
EML4 Q9HC35 2/20 0.33
ALK Q9UM73 2/20 0.33
USP5 P45974 1/20 0.33
CALCA P06881 1/20 0.32
SSTR4 P31391 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
SCHEMBL4472279 1.00 RAMP1 (0.55) RAMP1CALCRLSLC6A5DYRK1AADRB2
SCHEMBL4472276 0.95 RAMP1 (0.56) RAMP1CALCRLSLC6A5DYRK1AADRB2
SCHEMBL3314758 0.85 RAMP1 (0.59) RAMP1CALCRLSLC6A5ADRB2RET
SCHEMBL5248991 0.85 RAMP1 (0.59) RAMP1CALCRLSLC6A5ADRB2CALCA
SCHEMBL3314750 0.85 RAMP1 (0.59) RAMP1CALCRLSLC6A5ADRB2RET
SCHEMBL3309816 0.85 RAMP1 (0.58) RAMP1CALCRLSLC6A5CCR10
SCHEMBL3309820 0.85 RAMP1 (0.58) RAMP1CALCRLSLC6A5CCR10
SCHEMBL27760084 0.84 CALCRL (0.52) RAMP1CALCRLSLC6A5DYRK1AADRB2
SCHEMBL3314129 0.82 CALCRL (0.66) RAMP1CALCRLSLC6A5ADRB2USP5
SCHEMBL3314116 0.82 CALCRL (0.66) RAMP1CALCRLSLC6A5ADRB2USP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638625-B2 Crystalline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-29 US disclosed
US-20080086003-A1 1-[4-amino-3,5-dibromo-N-[[4-(2,3,4,5-tetrahydro-2(1H)-oxo-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine-p-toluenesulphonate or other inorganic organic salts; calcitonin gene related peptide-antagonist; useful for treating headache and migraine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-10 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 (1 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-20080086003-A1 1-[4-amino-3,5-dibromo-N-[[4-(2,3,4,5-tetrahydro-2(1H)-oxo-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine-p-toluenesulphonate or other inorganic organic salts; calcitonin gene related peptide-antagonist; useful for treating headache and migraine SUCNR1, TRPC1, TRPV1 RAMP1 629/4885CALCRL 10/4885SLC6A5 715/4885

“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.