SCHEMBL188778

SCHEMBL188778

Cc1c[c]ccc1OCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HTR7 P34969 4/20 0.46
HTR1B P28222 1/20 0.44
ESR1 P03372 2/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LTA4H P09960 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL16240198 0.83 HTR7 (0.60) KDM4EHTR7HTR1BDRD2DRD1
SCHEMBL27991741 0.83 ESR1 (0.44) KDM4EHTR7HTR1BESR1DRD2
SCHEMBL3419949 0.83 HTR7 (0.44) KDM4EHTR7HTR1BDRD2DRD1
SCHEMBL4577229 0.83 HTR7 (0.53) KDM4EHTR7HTR1BDRD2DRD1
SCHEMBL2479633 0.83 HTR7 (0.53) KDM4EHTR7HTR1BDRD2DRD1
SCHEMBL3463971 0.81 HTR7 (0.42) KDM4EHTR7HTR1BESR1DRD2
SCHEMBL188652 0.81 CYP1A2 (0.47) KDM4EHTR1BHRH3ALDH1A1SMN1; SMN2
SCHEMBL17046320 0.79 MAPT (0.38) KDM4EESR1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28551358 0.79 ROCK2 (0.45) KDM4EHTR7HTR1BDRD2DRD1
SCHEMBL19925872 0.79 ESR1 (0.44) KDM4EHTR7HTR1BESR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043384-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-02-08 US claimed
US-20240043384-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-02-08 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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 (2 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-20240043384-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE CREBBP, JUN, SP1 KDM4E 1875/4885HTR7 3919/4885HTR1B 3743/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK KDM4E 1155/4885HTR7 4068/4885HTR1B 3132/4885

“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.