SCHEMBL3560946

SCHEMBL3560946

c1ccc2c(N3CCNCC3)coc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
NCF1 P14598 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53
HTR5A P47898 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MTOR P42345 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL28194684 0.87 KDM4E (0.71) HTR6NCF1HTR1AHTR2AHTR7
SCHEMBL28241794 0.84 ALDH1A1 (0.57) NCF1KDM4EALDH1A1HPGD
SCHEMBL11321507 0.82 ALDH1A1 (0.57) NCF1TSHRKDM4EALDH1A1HPGD
SCHEMBL24524524 0.81 KDM4E (0.77) NCF1CYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL3588307 0.79 ALDH1A1 (0.53) NCF1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30725496 0.78 HTR2C (0.56) HTR6NCF1HTR1AHTR2AHTR7
SCHEMBL9303783 0.78 HTR2C (0.56) HTR6NCF1HTR1AHTR2AHTR7
SCHEMBL8812194 0.78 KDR (0.48) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL3556088 0.78 KDR (0.51) HTR6HTR1AHTR2AHTR7HTR1D
SCHEMBL3556090 0.77 ALDH1A1 (0.42) HTR6NCF1HTR1AHTR2AHTR7

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-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 CN disclosed
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 WO disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-7153849-B2 Antidepressant arylpiperazine derivatives of hetrocycle-fused benzodioxans WYETH (US) 2006-12-26 US disclosed
US-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-07 US disclosed
EP-1537121-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-08 EP disclosed
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans WYETH 2004-07-22 US disclosed
WO-2004024731-A1 ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 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 (4 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-20060276481-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TAAR5 HTR6 62/4885NCF1 2251/4885HTR1A 51/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C HTR6 101/4885NCF1 3807/4885HTR1A 52/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D HTR6 16/4885NCF1 3837/4885HTR1A 4/4885
US-20040142926-A1 Antidepressant arylpiperazine derivatives of heterocycle-fused benzodioxans HTR5A, CYP19A1, CRH HTR6 65/4885NCF1 2098/4885HTR1A 39/4885

“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.