SCHEMBL7607662

SCHEMBL7607662

O=C(C1CCCCC1)N(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.52
HTR1A P08908 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
DRD4 P21917 5/20 0.49
ADRA1B P35368 4/20 0.49
ADRA1D P25100 3/20 0.49
HTR7 P34969 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2B P41595 2/20 0.49
HTR2A P28223 2/20 0.48
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7723872 0.90 ADRA1A (0.51) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7610554 0.88 HTR1A (0.61) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7607460 0.88 HTR1A (0.49) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL6931408 0.88 HTR1A (0.49) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL6546338 0.86 HTR1A (0.72) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7606427 0.86 HTR1A (0.51) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL6548221 0.85 HTR1A (0.71) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7608222 0.85 HTR1A (0.47) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL7540928 0.84 DRD2 (0.48) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B
SCHEMBL6930467 0.81 HTR1A (0.73) ADRA1AHTR1ASMN1; SMN2DRD4ADRA1B

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 ADRA1A 525/4885HTR1A 1328/4885SMN1; SMN2 7/4885

“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.