SCHEMBL2086480

SCHEMBL2086480

Cc1cc(C[CH]C(=O)N2CCN(C3CCCCC3)CC2)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 5/20 0.43
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL2088390 0.90 L3MBTL3 (0.50) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL3092663 0.88 HRH3 (0.39) ALDH1A1KDM4EKMT2APKMHRH3
SCHEMBL2086482 0.79 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ETSHRKMT2A
SCHEMBL2084827 0.78 PKM (0.49) ALDH1A1HPGDKDM4EKMT2APKM
SCHEMBL3285188 0.74 CCR5 (0.41) ALDH1A1HPGDKMT2AL3MBTL1SMN1; SMN2
SCHEMBL3284870 0.74 CCR5 (0.41) ALDH1A1HPGDKMT2AL3MBTL1SMN1; SMN2
SCHEMBL5250813 0.74 CCR3 (0.38) ALDH1A1KDM4EL3MBTL1HRH3SMN1; SMN2
SCHEMBL6222355 0.74 L3MBTL3 (0.43) ALDH1A1HPGDKMT2AL3MBTL1SMN1; SMN2
SCHEMBL3357947 0.74 L3MBTL3 (0.38) L3MBTL1SMN1; SMN2L3MBTL3GAA
SCHEMBL3279492 0.73 L3MBTL3 (0.50) ALDH1A1KDM4EKMT2AL3MBTL1L3MBTL3

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-7897603-B2 Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 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-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, BDKRB2 ALDH1A1 1720/4885HPGD 375/4885KDM4E 4557/4885

“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.