SCHEMBL7606608

SCHEMBL7606608

O=C(C1CCCCC1)N(CCN1CCN(c2cccc3cccnc23)CC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.61
ADRA1A P35348 5/20 0.61
DRD4 P21917 5/20 0.61
ADRA1B P35368 4/20 0.61
HTR7 P34969 4/20 0.61
ADRA1D P25100 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
HTR1B P28222 1/20 0.61
HTR2B P41595 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.49

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
SCHEMBL7612647 0.88 HTR1A (0.61) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL6933606 0.86 HTR1A (0.70) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7954941 0.84 HTR1A (0.79) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7611665 0.83 HTR1A (0.54) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7606427 0.81 HTR1A (0.51) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7613929 0.80 ADRA1A (0.53) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7605680 0.80 HTR1A (0.49) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7610548 0.79 HTR1A (0.55) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL6935600 0.79 HTR1A (0.71) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL7947389 0.79 HTR1A (0.79) HTR1AADRA1ADRD4ADRA1BHTR7

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-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US claimed
US-20020193383-A1 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMOANY 2002-12-19 US disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 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 (1 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-20020193383-A1 1-(N-phenylalkylaminoalkyl)piperazine derivatives substituted at position 2 of the phenyl ring NLN, GLS, CPT1B HTR1A 1328/4885ADRA1A 525/4885DRD4 2385/4885

“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.