SCHEMBL6933753

SCHEMBL6933753

CCC(N1CCN(c2ccccc2OC)CC1)N(C(=O)C1CCCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ADRA1A P35348 4/20 0.46
DRD4 P21917 3/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1B P35368 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
DRD2 P14416 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
SCHEMBL6933748 0.84 HTR1A (0.50) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL989581 0.80 HTR1A (0.69) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL6312815 0.76 HTR1A (0.64) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL6312809 0.76 HTR1A (0.64) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL6930822 0.72 MAPT (0.48) HTR1AKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7733796 0.71 HTR1A (0.57) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7612682 0.70 HTR1A (0.56) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7607814 0.70 HTR1A (0.54) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL6936795 0.69 HTR1A (0.66) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL6933222 0.69 HTR1A (0.78) HTR1AMEN1KMT2AADRA1ADRD4

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-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-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-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 1328/4885MEN1 4060/4885KMT2A 3995/4885

“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.