SCHEMBL6995817

SCHEMBL6995817

N#Cc1ccc2ccn(CCCO)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TSHR P16473 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ GLA P06280 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ USP2 O75604 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PRMT5 O14744 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ CDK4 P11802 3/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ CDC7 O00311 6/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ MAP3K14 Q99558 1/20 0.40
▸ HTR7 P34969 1/20 0.40

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
SCHEMBL17242442 0.88 P2RX7 (0.54) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL8255718 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL8430655 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL9994932 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL17242289 0.84 P2RX7 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL9995116 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL8430662 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL6990971 0.81 HTR2A (0.50) ALDH1A1KDM4ETSHRHSD17B10HPGD
Hydrochloric Acid SCHEMBL6995071 0.80 HTR2A (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL27400361 0.78 HTR2A (0.59) ALDH1A1KDM4ETSHRHSD17B10HPGD

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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 — — US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 — — US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 — — US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 — — US disclosed
EP-1023898-B1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands SERVIER LAB (FR) 2003-03-12 — — EP disclosed
US-6239129-B1 CHARACTERISED BY AN INDOLE RING ON THE AROMATIC MOIETY BY A CYANO GROUP AND ON THE INDOLE NITROGEN BY AN AMINOALKYL CHAIN. GREAT AFFINITY FOR 5-HT2C RECEPTORS, USEFUL FOR DEPRESSION, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, ADIR ET COMPAGNIE (FR) 2001-05-29 — — US disclosed
EP-1023898-A1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands ADIR ET COMPAGNIE (FR) 2000-08-02 — — EP 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 (2 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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A ALDH1A1 1420/4885KDM4E 3385/4885TSHR 180/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A ALDH1A1 1420/4885KDM4E 3385/4885TSHR 180/4885

“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.

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