SCHEMBL6192067

SCHEMBL6192067

COCCC(=O)C(C1CCc2ccccc2N1)N1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 9/20 0.38
▸ ADRA1B P35368 9/20 0.38
▸ ADRA1D P25100 8/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DRD4 P21917 3/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ OXTR P30559 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL6193644 0.92 ADRA1A (0.37) ADRA1AADRA1BADRA1DDRD2CYP3A4
SCHEMBL6194725 0.89 ADRA1A (0.35) ADRA1AADRA1BADRA1DDRD2CYP3A4
SCHEMBL6192038 0.86 ADRA1A (0.38) ADRA1AADRA1BADRA1DDRD2CYP3A4
SCHEMBL6193391 0.85 ADRA1A (0.37) ADRA1AADRA1BADRA1DDRD2CYP3A4
SCHEMBL6194709 0.81 GOT1 (0.40) ADRA1ADRD2DRD4HTR1ADRD3
SCHEMBL6196193 0.78 ADRA1A (0.40) ADRA1AADRA1BADRA1DDRD2CYP3A4
SCHEMBL6193334 0.78 DRD2 (0.40) ADRA1AADRA1BADRA1DDRD2DRD4
SCHEMBL6194542 0.77 MEN1 (0.43) ADRA1BLMNA
SCHEMBL6193626 0.76 HTR1A (0.41) DRD2DRD4HTR1A
SCHEMBL6195853 0.76 HTR1A (0.40) DRD2CYP3A4DRD4HTR1ADRD3

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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