SCHEMBL6931408

SCHEMBL6931408

O=C(C1CCCCC1)N(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.49
ADRA1A P35348 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
DRD4 P21917 5/20 0.46
ADRA1B P35368 4/20 0.46
HTR7 P34969 4/20 0.46
ADRA1D P25100 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HTR1B P28222 1/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
HTR2B P41595 2/20 0.46
HTR2A P28223 3/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL7607662 0.88 ADRA1A (0.52) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7723872 0.87 ADRA1A (0.51) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7610554 0.85 HTR1A (0.61) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7607460 0.85 HTR1A (0.49) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL6546338 0.83 HTR1A (0.72) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7606427 0.83 HTR1A (0.51) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL6548221 0.82 HTR1A (0.71) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7608222 0.82 HTR1A (0.47) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL989581 0.82 HTR1A (0.69) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL7540928 0.81 DRD2 (0.48) HTR1AADRA1ASMN1; 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 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 HTR1A 1328/4885ADRA1A 525/4885SMN1; 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.