SCHEMBL6647019

SCHEMBL6647019

CN1CCC(c2cc3ccc(Cl)cc3c(=O)[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.49
HTR3A P46098 1/20 0.49
DRD4 P21917 2/20 0.45
HRH3 Q9Y5N1 2/20 0.43
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 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
SCHEMBL6647332 0.86 CCNT1 (0.45) HRH4CCNT1CDK9TNKSPARP1
Hydrochloric Acid SCHEMBL6646579 0.83 CYP1A2 (0.48) HRH4CCNT1CDK9TNKSPARP1
SCHEMBL6645433 0.82 TNKS (0.48) HTR3ATNKSPARP1TNKS2
SCHEMBL6647813 0.78 CCNT1 (0.45) HRH4CCNT1CDK9TNKSPARP1
SCHEMBL6644956 0.77 CCNT1 (0.39) CCNT1CDK9TNKSPARP1TNKS2
SCHEMBL6647855 0.76 TNKS (0.49) HRH4DRD4CCNT1CDK9TNKS
SCHEMBL4073316 0.75 OPRM1 (0.48) HRH4HTR3ADRD4HRH3TNKS
SCHEMBL6644488 0.75 KDM4E (0.46) HTR3ATNKSPARP1TNKS2DRD2
SCHEMBL6755161 0.73 PARP1 (0.43) PARP1
SCHEMBL6646094 0.72 TNKS (0.50) CCNT1CDK9TNKSPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 HRH4 2085/4885HTR3A 2987/4885DRD4 4480/4885

“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.