SCHEMBL6936848

SCHEMBL6936848

COc1ccccc1N1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.67
DRD2 P14416 4/20 0.60
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
DRD3 P35462 2/20 0.60
LMNA P02545 2/20 0.60
DRD4 P21917 2/20 0.60
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HTR2A P28223 1/20 0.55

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
SCHEMBL6934206 0.89 HTR1A (0.67) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6934502 0.85 DRD2 (0.66) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11678037 0.84 DRD2 (0.67) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6474943 0.83 HTR1A (0.59) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL11117410 0.81 KDM4E (0.66) HTR1ALMNADRD4ALDH1A1MAPT
SCHEMBL5945818 0.81 HTR1A (1.00) HTR1ADRD2ADRA1ADRD3LMNA
SCHEMBL11556531 0.81 MAPK1 (0.69) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6484692 0.80 HTR1A (0.81) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6971387 0.80 HTR1A (0.79) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL7607942 0.79 HTR1A (0.58) HTR1ADRD2ADRA1DADRA1AADRA1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000047-B1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI CHEM PHARM (CH) 2003-12-17 EP disclosed
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
US-6071920-A BIND TO 5HT 1A RECEPTORS FOR TREATING DISORDERS OF THE LOWER URINARY TRACT; CNS DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; HYPOTENSIVE AGENTS; SLEEP AND EATING DISORDERS RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2000-06-06 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 1328/4885DRD2 1479/4885ADRA1D 353/4885

“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.