SCHEMBL5658658

SCHEMBL5658658

NC(=O)c1n[nH]c2ccc(C[CH]C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
POLB P06746 1/20 0.42
NTRK1 P04629 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
INSR P06213 2/20 0.42
IGF1R P08069 2/20 0.42
ALK Q9UM73 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40

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
SCHEMBL5659357 0.85 RBP4 (0.43) NTRK1TNKSPARP1PARP14DYRK1A
SCHEMBL3603302 0.78 WNT1 (0.40) NTRK1GAAALDH1A1DYRK1AWNT1
SCHEMBL5658987 0.78 DYRK1A (0.40) NTRK1DYRK1AWNT1CLK2CLK3
SCHEMBL3602706 0.77 DYRK1A (0.46) DYRK1AWNT1CLK2CLK3ALOX15
SCHEMBL15253894 0.75 TSHR (0.66) TSHRHTR1ADRD2HTR2AHTR2C
SCHEMBL4851302 0.73 CALCA (0.42) POLBLMNAGAAALDH1A1TNKS
SCHEMBL15256977 0.72 TSHR (0.61) TSHRPOLBLMNAALDH1A1MAPT
SCHEMBL28575862 0.70 NTRK1 (0.58) NTRK1DYRK1AWNT1CLK2CLK3
SCHEMBL15253964 0.69 TSHR (0.77) TSHRHTR1ADRD2HTR2AHTR2C
SCHEMBL28079206 0.68 DYRK1A (0.69) DYRK1AWNT1CLK2CLK3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US claimed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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 (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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL TSHR 645/4885HTR1A 99/4885DRD2 122/4885

“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.