SCHEMBL6934208

SCHEMBL6934208

COc1ccccc1N1CCN(CC(N)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.59
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.52
DRD2 P14416 4/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
HTR2A P28223 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL6936851 0.89 HTR1A (0.69) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL27432685 0.82 IGF1R (0.50) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8445548 0.82 HTR1A (0.62) HTR1AALDH1A1MAPTMAPK1DRD2
SCHEMBL9300157 0.82 HTR1A (0.62) HTR1AALDH1A1MAPTMAPK1DRD2
SCHEMBL6934504 0.82 HTR1A (0.62) HTR1AALDH1A1MAPTMAPK1DRD2
SCHEMBL6474949 0.80 HTR1A (0.52) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL10083342 0.79 OPRK1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7607947 0.76 LMNA (0.51) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL6930796 0.76 DRD2 (0.59) HTR1AALDH1A1MAPTLMNAMAPK1
SCHEMBL11556531 0.76 MAPK1 (0.69) HTR1AALDH1A1MAPTLMNAMAPK1

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 6 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
EP-1000047-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006384-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO 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 1328/4885ALDH1A1 312/4885MAPT 2034/4885

“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.