SCHEMBL7054236

SCHEMBL7054236

CCCOc1cc(Cl)ccc1N1CCN(CC2CCc3ccccc3N2C(=O)C2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 5/20 0.41
▸ HTR1A P08908 2/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ DRD2 P14416 4/20 0.39
▸ DRD4 P21917 4/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 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
SCHEMBL7054231 0.94 NPSR1 (0.42) AVPR1AHTR1AADRA1DADRA1AADRA1B
SCHEMBL6192854 0.94 DRD2 (0.45) AVPR1AHTR1AADRA1DADRA1AADRA1B
SCHEMBL7250226 0.91 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7052092 0.91 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6194673 0.90 DRD2 (0.48) AVPR1AHTR1AADRA1DADRA1AADRA1B
SCHEMBL6195360 0.88 HTR1A (0.41) AVPR1AHTR1AADRA1DADRA1AADRA1B
SCHEMBL6193361 0.86 DRD2 (0.47) AVPR1ADRD2DRD4
SCHEMBL7255376 0.86 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6192948 0.85 DRD2 (0.48) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7053877 0.85 POLB (0.43) AVPR1AHTR1AADRA1BDRD2DRD4

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-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 — — 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 (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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E AVPR1A 71/4885HTR1A 1/4885ADRA1D 17/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C AVPR1A 39/4885HTR1A 1/4885ADRA1D 24/4885

“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.

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