SCHEMBL791471

SCHEMBL791471

NCCCCN1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.75
DRD2 P14416 6/20 0.73
SLC6A4 P31645 1/20 0.73
HTR2A P28223 5/20 0.67
HTR6 P50406 2/20 0.62
HTR1A P08908 4/20 0.62
HRH3 Q9Y5N1 4/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
KCNH2 Q12809 1/20 0.62

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 SCHEMBL1545291 0.99 ACHE (0.73) ACHEDRD2SLC6A4HTR2AHTR6
SCHEMBL791116 0.97 ACHE (0.77) ACHEDRD2SLC6A4HTR2AHTR6
Hydrochloric Acid SCHEMBL1544617 0.95 ACHE (0.75) ACHEDRD2SLC6A4HTR2AHTR6
SCHEMBL7722977 0.92 ACHE (0.80) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL793025 0.92 ACHE (0.80) ACHEDRD2SLC6A4HTR2ADRD3
SCHEMBL1545611 0.89 ACHE (0.93) ACHEDRD2SLC6A4HTR2AHTR6
SCHEMBL1545556 0.89 ACHE (0.75) ACHEDRD2SLC6A4HTR2AHTR6
SCHEMBL1544989 0.89 ACHE (0.75) ACHEDRD2SLC6A4HTR2AHTR6
SCHEMBL1836420 0.89 ACHE (0.75) ACHEDRD2SLC6A4HTR2AHTR6
SCHEMBL9229112 0.88 ACHE (0.73) ACHEDRD2SLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 WO disclosed
EP-2311824-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics Aventis Pharmaceuticals Inc. (US) 2011-04-20 EP disclosed
US-RE39198-E1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics AVENTIS PHARMACEUTICALS INC. (US) 2006-07-18 US disclosed
US-6420390-B1 ANALGESIC AGENTS AVENTIS PHARMACEUTICALS INC. 2002-07-16 US disclosed
US-RE37729-E1 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility AVENTIS PHARMACEUTICALS INC. 2002-06-04 US disclosed
US-5556858-A ANALGESICS AND ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-09-17 US disclosed
US-5554614-A TREATMENT OF PSYCHOLOGICAL DISORDERS, PSYCHOSES; ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-09-10 US disclosed
US-5552414-A 1-(1H-indolyloxyalkyl)-4-(heteroaryl) piperidines and related compounds useful as antipsychotics and analgesics HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-09-03 US disclosed
US-5550130-A ANTIPSYCHOTIC AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
WO-1995011680-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-05-04 WO disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
US-5364866-A Side effect reduction HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-11-15 US disclosed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP disclosed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP disclosed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS ACHE 815/4885DRD2 3216/4885SLC6A4 174/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS ACHE 815/4885DRD2 3216/4885SLC6A4 174/4885

“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.