SCHEMBL7052092

SCHEMBL7052092

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.41
▸ ADRA1A P35348 3/20 0.41
▸ ADRA1D P25100 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL7255376 0.94 HTR1A (0.39) HTR1AADRA1AADRA1DADRA1BTP53
SCHEMBL6191934 0.94 MEN1 (0.43) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL7250226 0.93 HTR1A (0.44) HTR1AADRA1AADRA1DADRA1BTP53
SCHEMBL7054236 0.91 AVPR1A (0.41) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6192783 0.90 HTR1A (0.48) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6191391 0.88 ADRA1D (0.45) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6211824 0.88 DRD4 (0.49) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6192684 0.86 TSHR (0.47) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6195130 0.86 POLB (0.44) HTR1AADRA1AADRA1DADRA1BTP53
SCHEMBL6194537 0.86 OPRM1 (0.49) HTR1AADRA1AADRA1DADRA1BDRD2

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 HTR1A 1/4885ADRA1A 36/4885ADRA1D 17/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HTR1A 1/4885ADRA1A 27/4885ADRA1D 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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