SCHEMBL6930819

SCHEMBL6930819

COc1ccccc1N1CCN(C(C)CNc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
LMNA P02545 4/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.46
HTR1A P08908 3/20 0.46
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6930822 0.83 MAPT (0.48) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6474943 0.82 HTR1A (0.59) LMNAHTR1A
SCHEMBL7609800 0.80 HTR1A (0.50) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8129784 0.79 DRD2 (0.59) HTR1A
SCHEMBL11446928 0.79 HTR1A (0.59) LMNAALDH1A1POLBKMT2AHTR1A
SCHEMBL6930821 0.74 MAPT (0.48) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8013988 0.73 DRD2 (0.63) MAPTLMNAMAPK1ALDH1A1L3MBTL1
SCHEMBL13648743 0.72 POLB (0.65) MAPTLMNAMAPK1ALDH1A1TDP1
SCHEMBL7609804 0.72 HTR1A (0.51) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL28219732 0.71 MAPT (0.50) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1

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-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
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 MAPT 2034/4885LMNA 2147/4885MAPK1 4376/4885

“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.