SCHEMBL3595429

SCHEMBL3595429

NCCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.59
HTR1A P08908 4/20 0.59
HTR2A P28223 4/20 0.59
DRD3 P35462 3/20 0.59
DRD1 P21728 1/20 0.59
DRD5 P21918 1/20 0.59
SIGMAR1 Q99720 4/20 0.50
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR7 P34969 2/20 0.47
CCR2 P41597 1/20 0.46
HTR6 P50406 1/20 0.46

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
Hydrochloric Acid SCHEMBL7658854 0.98 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL7657963 0.98 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL3591082 0.90 DRD2 (0.55) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8011291 0.90 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001944 0.90 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001978 0.88 DRD2 (0.63) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8012789 0.86 DRD2 (0.60) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL7530735 0.84 ADRA1A (0.50) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8571166 0.84 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL6998658 0.84 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372911-B1 REACTING COMPOUND CONTAINING AT LEAST ONE CARBON-CARBON DOUBLE BOND WITH CARBAMATE IN AQUEOUS SOLVENT IN PRESENCE OF BASE, OSMIUM CATALYST, CO-OXIDANT, AND OPTIONALLY ASYMMETRIC LIGAND, TO FORM REACTION MIXTURE CONTAINING BETA-HYDROXY CARBAMATE MERCK & CO., INC. 2002-04-16 US claimed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US claimed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 US claimed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US claimed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO claimed
US-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 WO disclosed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000025782-A1 DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed
WO-1999048530-A1 COMBINATION THERAPY FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1999-09-30 WO disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed
WO-1994027991-A1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-12-08 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA DRD2 542/4885HTR1A 296/4885HTR2A 263/4885

“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.