SCHEMBL2884262

SCHEMBL2884262

c1cc(N2CCNCC2)c2cccnc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 10/20 0.79
ADRB2 P07550 5/20 0.79
HTR2A P28223 2/20 0.60
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
TSHR P16473 2/20 0.58
NFKB1 P19838 2/20 0.58
HTR7 P34969 2/20 0.58
HTR6 P50406 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
CYP1A2 P05177 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
MTOR P42345 1/20 0.58
HTR3A P46098 1/20 0.58
HTR5A P47898 1/20 0.58
HTR3D Q70Z44 1/20 0.58

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 SCHEMBL3711412 0.98 NCF1 (0.77) NCF1ADRB2HTR2AHTR2CSLC6A4
SCHEMBL30041391 0.89 NCF1 (1.00) NCF1ADRB2HTR2AHTR2CTSHR
SCHEMBL900231 0.89 NCF1 (1.00) NCF1ADRB2HTR2AHTR2CTSHR
Hydrochloric Acid SCHEMBL30061214 0.87 NCF1 (0.97) NCF1ADRB2HTR2AHTR2CTSHR
SCHEMBL23412205 0.83 NCF1 (0.88) NCF1ADRB2HTR2AHTR2CTSHR
SCHEMBL19829015 0.81 METAP1 (0.57) NCF1ADRB2HTR1AHSD17B10KDM4E
SCHEMBL7957352 0.79 ADRB2 (0.51) NCF1ADRB2HTR2ATSHRNFKB1
SCHEMBL5363405 0.79 HTR2A (0.67) NCF1ADRB2HTR2AHTR2CSLC6A4
SCHEMBL31737749 0.78 NCF1 (0.50) NCF1ADRB2HTR2AHTR2CSLC6A4
SCHEMBL30659356 0.78 ADRB2 (0.50) NCF1ADRB2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112390751-B Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2022-07-05 CN disclosed
CN-112390751-A Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2021-02-23 CN disclosed
WO-2013177253-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-2145622-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors Glaxo Group Limited (GB) 2010-01-20 EP disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 US disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 US disclosed
WO-2002044170-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2002-06-06 WO disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
CN-1336916-A Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PROD (US) 2002-02-20 CN disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
EP-0678090-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1998-10-14 EP disclosed
US-5627177-A Piperazine derivatives JOHN WYETH & BROTHER, LTD. (GB) 1997-05-06 US disclosed
EP-0678090-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-10-25 EP disclosed
WO-1994015919-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1994-07-21 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 (3 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-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors OPRK1, OPRL1, OPRD1 NCF1 2597/4885ADRB2 99/4885HTR2A 13/4885
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 NCF1 1882/4885ADRB2 269/4885HTR2A 8/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F NCF1 1712/4885ADRB2 93/4885HTR2A 11/4885

“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.