SCHEMBL5250106

SCHEMBL5250106

CCc1ccc(C[CH]C(=O)N2CCN(C3CCN(C(N)=O)CC3)CC2)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
ACACA Q13085 3/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL3 Q96JM7 5/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
EGFR P00533 2/20 0.35
MBTD1 Q05BQ5 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM1 P11229 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 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
SCHEMBL3279563 1.00 ACACB (0.38) ACACBACACAGAAALOX12SMN1; SMN2
SCHEMBL3279286 0.96 L3MBTL3 (0.38) ACACBACACAGAAALOX12SMN1; SMN2
SCHEMBL3278543 0.92 GAA (0.41) ACACBACACAGAAALOX12SMN1; SMN2
SCHEMBL3282738 0.90 KRAS (0.34) ACACBACACAALDH1A1KDM4EHRH3
SCHEMBL3279106 0.89 ITGB3 (0.39) GAAALOX12SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL3284870 0.86 CCR5 (0.41) ACACBACACAGAAALOX12SMN1; SMN2
SCHEMBL3285188 0.86 CCR5 (0.41) ACACBACACAGAAALOX12SMN1; SMN2
SCHEMBL3285679 0.85 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1
SCHEMBL5249986 0.83 CCR3 (0.37) ACACBACACAGAAALOX12SMN1; SMN2
SCHEMBL4718312 0.83 CCR5 (0.39) ACACBACACAGAAALOX12SMN1; SMN2

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
US-20070087995-A1 beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B IDENIX PHARMACEUTICALS, INC. (US) 2007-04-19 US 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 (3 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-20070087995-A1 beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B PNP, DUT, ATIC ACACB 1185/4885ACACA 2964/4885GAA 881/4885
US-20060154921-A1 Use of CGRP antagonists in treatment and prevention of hot flushes in prostate cancer patients CALCA, CALCB, CALCR ACACB 2927/4885ACACA 2316/4885GAA 2892/4885
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 2368/4885GAA 3081/4885

“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.