SCHEMBL12259495

SCHEMBL12259495

CC(C)NC1(c2cnccn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
VNN1 O95497 6/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTD P43251 1/20 0.34
KIF11 P52732 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 3/20 0.32
USP2 O75604 1/20 0.31
SLC6A9 P48067 1/20 0.30

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
SCHEMBL12310389 0.79 VNN1 (0.39) HIF1AVNN1LMNAALDH1A1KDM4E
SCHEMBL12259503 0.76
SCHEMBL9963369 0.75 GRIN1 (0.42) VNN1KIF11
SCHEMBL12259570 0.74 HSP90AA1 (0.31) SLC6A9
SCHEMBL19398566 0.72 LMNA (0.36) HIF1ALMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL12259412 0.71 LATS1 (0.36)
SCHEMBL12259418 0.71
SCHEMBL12259535 0.70 GRIN1 (0.41) KDM4EKIF11
SCHEMBL12259419 0.70 VNN1 (0.44) VNN1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL12259482 0.70 HDAC6 (0.36) ALDH1A1KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 HIF1A 213/4885VNN1 3350/4885LMNA 3193/4885

“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.