SCHEMBL7607699

SCHEMBL7607699

COc1ccccc1N1CCN(CC(N)c2ccccc2C(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.54
ADRB1 P08588 3/20 0.54
ADRB3 P13945 3/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
RECQL P46063 1/20 0.52
ABCB1 P08183 5/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IGF1R P08069 1/20 0.51
MAPT P10636 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
SCHEMBL6933584 0.91 ADRB2 (0.62) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL6933603 0.90 ADRA1D (0.61) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL6928368 0.88 ADRB2 (0.52) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL6930796 0.87 DRD2 (0.59) ADRB1ADRA1DADRA1AADRA1BDRD2
SCHEMBL6931430 0.86 DRD2 (0.59) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL6933904 0.81 DRD2 (0.53) ADRB1ADRA1DADRA1AADRA1BDRD2
SCHEMBL27513126 0.81 HTR1A (0.54) DRD2ABCB1ALDH1A1HTR1AIGF1R
SCHEMBL6932609 0.80 DRD2 (0.51) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7606632 0.80 CACNA1G (0.54) ADRA1DADRA1AADRA1BDRD2RECQL
SCHEMBL6474949 0.79 HTR1A (0.52) DRD2RECQLALDH1A1HTR1AKDM4E

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 5 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
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 ADRB2 368/4885ADRB1 408/4885ADRB3 444/4885

“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.