SCHEMBL7606628

SCHEMBL7606628

COc1ccccc1N1CCN(CCNc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
DRD2 P14416 5/20 0.56
DRD3 P35462 1/20 0.54
DRD4 P21917 1/20 0.54
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6930794 0.87 DRD2 (0.66) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6934032 0.87 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6935595 0.86 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6933901 0.82 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6934502 0.82 DRD2 (0.66) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6932606 0.81 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL7733782 0.80 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6933599 0.80 DRD2 (0.69) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL7605683 0.80 DRD2 (0.62) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL11678037 0.79 DRD2 (0.67) HTR1AADRA1DADRA1AADRA1BDRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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 1328/4885ADRA1D 353/4885ADRA1A 525/4885

“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.