SCHEMBL6193322

SCHEMBL6193322

COc1cc(F)ccc1N1CCN(CC2CCc3cccc(C)c3N2C(=O)C2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ DRD2 P14416 3/20 0.44
▸ DRD4 P21917 3/20 0.44
▸ TSHR P16473 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6193824 0.92 DRD4 (0.43) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6198293 0.92 DRD2 (0.43) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6195679 0.89 DRD2 (0.41) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6192783 0.89 HTR1A (0.48) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6193242 0.88 DRD2 (0.46) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6192427 0.87 HTR1A (0.39) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6193315 0.87 DRD2 (0.43) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6194846 0.87 HTR1A (0.40) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6211824 0.87 DRD4 (0.49) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL6194533 0.86 DRD2 (0.43) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP claimed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US claimed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — WO claimed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP disclosed
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
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — 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-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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