SCHEMBL5138986

SCHEMBL5138986

C1=C(c2cc3ccccc3[nH]2)CCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
HTR2C P28335 7/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HTR6 P50406 3/20 0.49
HTR2A P28223 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RAD52 P43351 1/20 0.49
DRD2 P14416 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CDK9 P50750 3/20 0.43
CCNT1 O60563 2/20 0.43
CHEK1 O14757 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7876549 0.80 SIGMAR1 (0.53) SIGMAR1HTR2CMAPTHTR6HTR2A
SCHEMBL18446234 0.77 ITK (0.56) CHEK1
SCHEMBL18445668 0.77 ITK (0.55) CHEK1KDR
SCHEMBL7859749 0.77 HTR6 (0.45) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL8819830 0.77 HTR6 (0.43) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL2085643 0.77 RAB9A (0.50) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL31181951 0.77 RAB9A (0.50) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL8820703 0.76 SIGMAR1 (0.42) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL1174412 0.75 RAB9A (0.49) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL18454216 0.75 ITK (0.48) SIGMAR1HTR2CHTR6HTR2ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1261363-A Process for the manufacture of sertindole LUNDBECK & CO AS H (DK) 2000-07-26 CN claimed
EP-2742047-B1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-12 EP disclosed
US-7371769-B2 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-13 US disclosed
EP-1828168-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP disclosed
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-22 US disclosed
WO-2006061373-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122206-A1 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
EP-1200072-A2 METHOD OF TREATING PSYCHOTIC DISORDERS Solvay Pharmaceuticals B.V. (NL) 2002-05-02 EP disclosed
WO-2000069424-A3 METHOD OF TREATING PSYCHOTIC DISORDERS SOLVAY PHARM BV (NL) 2001-06-07 WO disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
WO-2000069424-A2 METHOD OF TREATING PSYCHOTIC DISORDERS SOLVAY PHARMACEUTICALS B.V. (NL) 2000-11-23 WO disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed
EP-0169148-B1 INDOLE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-09-13 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-20060122206-A1 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SLC6A3, HTR3C, DRD3 SIGMAR1 125/4885HTR2C 5/4885KDM4E 4257/4885
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SLC6A3, HTR3C, DRD3 SIGMAR1 125/4885HTR2C 5/4885KDM4E 4257/4885

“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.