SCHEMBL7250477

SCHEMBL7250477

COc1ccc2c(c1)[nH]c1cc(OCCN)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
DYRK1A Q13627 9/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 3/20 0.49
MAOA P21397 3/20 0.49
HTR6 P50406 2/20 0.49
ACHE P22303 2/20 0.49
DYRK3 O43781 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNB2 O95067 1/20 0.49
CYP1A2 P05177 1/20 0.49
CDK1 P06493 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CCNB1 P14635 1/20 0.49

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
SCHEMBL1798750 0.92 MAOA (0.46) DYRK1AMAOAHTR1D
SCHEMBL7250544 0.86 KIF11 (0.49) HTR2ADYRK1AMAOARXFP1HTR1D
SCHEMBL18487303 0.85 KDM4E (0.50) DYRK1AKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL1795837 0.85 PARP1 (0.49) HTR2ADYRK1AKDM4EALDH1A1KMT2A
SCHEMBL7251253 0.84 DYRK1A (0.49) DYRK1AKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL7108868 0.84 KIF11 (0.54) KDM4EALDH1A1KMT2AHSD17B10MEN1
SCHEMBL1793765 0.83 HTR1A (0.45) HTR2ADYRK1AKDM4EMAOACYP1A2
SCHEMBL7251788 0.83 MCL1 (0.44) DYRK1AMAOASMN1; SMN2HTR1D
SCHEMBL7253761 0.83 PARP1 (0.45) HTR2ADYRK1AMAOACCNB2CDK1
SCHEMBL7250710 0.83 PARP1 (0.41) DYRK1AMAOACCNB2CDK1CCNB1

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-20030040538-A1 Novel substituted tricyclic compounds ASAHI-KASEI KABUSHIKI KAISHA (JP) 2003-02-27 US claimed
EP-1238973-A1 NOVEL SUBSTITUTED TRICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2002-09-11 EP claimed
US-20030040538-A1 Novel substituted tricyclic compounds ASAHI-KASEI KABUSHIKI KAISHA (JP) 2003-02-27 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-20030040538-A1 Novel substituted tricyclic compounds CPT1A, CBR1, NR1H3 HTR2A 1991/4885DYRK1A 4485/4885KDM4E 1429/4885

“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.