SCHEMBL20249339

SCHEMBL20249339

CC(C)N1CCC(=O)N(c2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CACNA2D1 P54289 6/20 0.36
SLC6A2 P23975 5/20 0.36
AKR1C3 P42330 5/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL20249308 0.88 HRH3 (0.38) HRH3LMNAGAAAKR1C3TP53
SCHEMBL20249475 0.87 HRH3 (0.36) HRH3LMNAAKR1C3TP53CYP2D6
SCHEMBL20249478 0.87 HRH3 (0.36) HRH3LMNAAKR1C3TP53CYP2D6
SCHEMBL20037537 0.83 HRH3 (0.47) HRH3LMNAGAACACNA2D1SLC6A2
SCHEMBL20038203 0.82 HRH3 (0.44) HRH3CACNA2D1SLC6A2AKR1C3CYP3A4
SCHEMBL20249324 0.81 NPC1 (0.42) AKR1C3MAPT
SCHEMBL17207184 0.81 AKR1C3 (0.51) LMNAGAAAKR1C3TP53TSHR
SCHEMBL20249368 0.81 HRH3 (0.37) HRH3LMNAGAACYP2D6TSHR
SCHEMBL20249457 0.80 KCNH2 (0.35) HRH3LMNAAKR1C3TP53TSHR
SCHEMBL20249440 0.80 KCNH2 (0.35) HRH3LMNAAKR1C3TP53TSHR

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HRH3 2304/4885LMNA 3947/4885GAA 2747/4885

“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.