SCHEMBL6930428

SCHEMBL6930428

O=C(C1CCCCC1)N(CCN1CCN(Cc2cc(Cl)ccc2Cl)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 3/20 0.43
ADRA1A P35348 3/20 0.43
DRD4 P21917 3/20 0.43
HTR7 P34969 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
ACHE P22303 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7947512 0.81 HTR1A (0.66) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL989581 0.76 HTR1A (0.69) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL7733796 0.74 HTR1A (0.57) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL6931408 0.73 HTR1A (0.49) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL7612682 0.73 HTR1A (0.56) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL6312815 0.73 HTR1A (0.64) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL6312809 0.73 HTR1A (0.64) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL6470810 0.72 ALDH1A1 (0.40) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL7736577 0.72 HTR1A (0.54) MEN1KMT2AHTR1AADRA1ADRD4
SCHEMBL7611697 0.72 HTR1A (0.54) MEN1KMT2AHTR1AADRA1ADRD4

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 MEN1 4060/4885KMT2A 3995/4885HTR1A 1328/4885

“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.