SCHEMBL6934504

SCHEMBL6934504

COc1ccccc1N1CCN(CC(N)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.62
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
IGF1R P08069 1/20 0.59
DRD2 P14416 3/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
RECQL P46063 1/20 0.57
MAPK1 P28482 1/20 0.56
DRD3 P35462 2/20 0.56
DRD4 P21917 2/20 0.55
HRH2 P25021 1/20 0.55
HRH1 P35367 1/20 0.55
MAPT P10636 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
SCHEMBL9300157 1.00 HTR1A (0.62) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8445548 1.00 HTR1A (0.62) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6930796 0.88 DRD2 (0.59) HTR1AALDH1A1KDM4EIGF1RDRD2
SCHEMBL6936851 0.86 HTR1A (0.69) HTR1AALDH1A1IGF1RDRD2ADRA1D
SCHEMBL7542132 0.85 DRD2 (0.62) HTR1AALDH1A1KDM4EIGF1RDRD2
SCHEMBL7537267 0.85 DRD2 (0.62) HTR1AALDH1A1KDM4EIGF1RDRD2
SCHEMBL8442587 0.84 IGF1R (0.81) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6932609 0.83 DRD2 (0.51) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8442876 0.83 IGF1R (0.80) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9019641 0.83 IGF1R (0.80) HTR1AALDH1A1KDM4ECYP1A2CYP3A4

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 312/4885KDM4E 2293/4885

“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.