SCHEMBL6196197

SCHEMBL6196197

O=C(C1CCCCC1)N1c2ccc(F)cc2CCC1CN1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 13/20 0.43
▸ ADRA1B P35368 12/20 0.43
▸ ADRA1D P25100 11/20 0.43
▸ HTR1A P08908 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL6193389 0.92 HTR1A (0.43) ADRA1AADRA1BADRA1DHTR1ACYP3A4
SCHEMBL6197323 0.87 HTR1A (0.40) ADRA1AADRA1BADRA1DHTR1ACYP3A4
SCHEMBL6193242 0.86 DRD2 (0.46) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL6191934 0.86 MEN1 (0.43) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL6192783 0.86 HTR1A (0.48) ADRA1AADRA1BADRA1DHTR1ACYP3A4
SCHEMBL7052092 0.85 HTR1A (0.41) ADRA1AADRA1BADRA1DHTR1ACYP3A4
SCHEMBL6195130 0.84 POLB (0.44) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL6191391 0.84 ADRA1D (0.45) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL6194122 0.84 HTR1A (0.43) ADRA1AADRA1BADRA1DHTR1A
SCHEMBL6211824 0.83 DRD4 (0.49) ADRA1AADRA1BADRA1DHTR1A

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 5 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
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US 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
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 ADRA1A 36/4885ADRA1B 47/4885ADRA1D 17/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ADRA1A 27/4885ADRA1B 36/4885ADRA1D 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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