SCHEMBL5407959

SCHEMBL5407959

O=CN1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.59
KCNJ1 P48048 1/20 0.59
MAOA P21397 1/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 1/20 0.51
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL16739279 0.84 KCNH2 (0.54) KCNH2KCNJ1MAOAHTR2AHTR2C
SCHEMBL7583274 0.84 SLC6A3 (0.63) KCNH2SLC6A3
SCHEMBL7422143 0.83 MAPT (0.53)
SCHEMBL5745400 0.79 KCNJ1 (0.61) KCNH2KCNJ1MAOAHTR2AHTR2C
SCHEMBL7423301 0.79 ALDH1A1 (0.50)
SCHEMBL23377845 0.78 HRH3 (0.62) KCNH2KCNJ1MAOAHTR2AHTR2C
SCHEMBL23377646 0.78 HRH3 (0.68) KCNH2KCNJ1MAOAHTR2AHTR2C
SCHEMBL4069868 0.78 HTR2A (0.59) KCNH2KCNJ1HTR2AHTR2CHTR7
SCHEMBL24322840 0.77 KCNH2 (0.59) KCNH2KCNJ1MAOAHTR2AHTR2C
SCHEMBL38658212 0.77 SIGMAR1 (0.43) KCNH2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4119141-A1 NELOTANSERIN FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER Axovant Sciences GmbH (CH) 2023-01-18 EP disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
US-7312342-B2 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)-methanone and salts thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-12-25 US disclosed
CN-1213029-C Process for the preparation of (3-cyano-1H-indol-7-yl) (4-(4-fluorophenethyl)piperazin-1-yl)-methanone and salts thereof MERCH PATENT GMBH (DE) 2005-08-03 CN disclosed
CN-1487923-A Process for the preparation of (3-cyano-1H-indol-7-yl) (4- (4-fluorophenethyl) piperazin-1-yl) -methanone and salts thereof Ĭ��ר���ɷ����޹�˾ 2004-04-07 CN disclosed
CN-1487923-A Process for the preparation of (3-cyano-1H-indol-7-yl) (4- (4-fluorophenethyl) piperazin-1-yl) -methanone and salts thereof Ĭ��ר���ɷ����޹�˾ 2004-04-07 CN disclosed
US-20040063723-A1 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1353906-A1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GmbH (DE) 2003-10-22 EP disclosed
WO-2002059092-A1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GMBH (DE) 2002-08-01 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 (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-20040063723-A1 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof TPH1, TPH2, IDO1 KCNH2 153/4885KCNJ1 143/4885MAOA 97/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 KCNH2 4403/4885KCNJ1 4716/4885MAOA 216/4885

“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.