Sugi Predict

Sugi Predict / Compounds / SCHEMBL998925

SCHEMBL998925

SCHEMBL998925

NCC1(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.55
▸ SLC6A3 Q01959 3/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ HTR2A P28223 4/20 0.46
▸ HTR2C P28335 4/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MPO P05164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ PMP22 Q01453 1/20 0.45
▸ MAOA P21397 1/20 0.44

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 SCHEMBL23629443 0.98 SLC6A4 (0.54) SLC6A4SLC6A3CYP2D6SLC6A2HTR2A
SCHEMBL275648 0.93 SLC6A4 (0.54) SLC6A4SLC6A3CYP2D6SLC6A2HTR2A
SCHEMBL278686 0.93 SLC6A4 (0.52) SLC6A4SLC6A3CYP2D6SLC6A2HTR2A
SCHEMBL16802041 0.81 MAPT (0.55) SLC6A4SLC6A3CYP2D6SLC6A2MAPT
SCHEMBL18324739 0.81 TDO2 (0.48) SLC6A4SLC6A3CYP2D6SLC6A2CYP3A4
SCHEMBL30344459 0.77 CYP2D6 (0.48) SLC6A4SLC6A3CYP2D6SLC6A2HTR2A
SCHEMBL28595479 0.73 MAPT (0.52) SLC6A4SLC6A3CYP2D6SLC6A2CYP3A4
SCHEMBL22864444 0.73 ATM (0.48) SLC6A4SLC6A3CYP2D6SLC6A2CYP3A4
SCHEMBL7837946 0.72 CYP2D6 (0.44) SLC6A4SLC6A3CYP2D6SLC6A2MAPT
SCHEMBL980994 0.71 SLC6A2 (1.00) SLC6A4SLC6A3CYP2D6SLC6A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 — — US disclosed
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 — — US disclosed
US-20210340157-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-11-04 — — US disclosed
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 — — US disclosed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 — — US disclosed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 — — US disclosed
EP-1829874-B1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-02-12 — — EP disclosed
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 — — US disclosed
US-8476293-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 — — EP disclosed
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 — — US disclosed
US-7964726-B2 1-(1,3-benzodioxol-5-yl)-N-(3,5-dimethylphenyl)-1,9-dihydrospiro[ beta -carboline-4,1'-cyclopropane]-2(3H)-carboxamide; mitochondrial benzodiazepine receptor modulator; digestive system disease caused by stress: irritable bowel syndrome, ulcerative colitis, or Crohn's disease ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-21 — — US disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 — — US disclosed
US-20080114012-A1 Tricyclic Compound And Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 — — US disclosed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 — — EP disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 — — US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 — — EP 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 (7 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-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 SLC6A4 132/4885SLC6A3 116/4885CYP2D6 13/4885
US-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS SLC6A4 2010/4885SLC6A3 1833/4885CYP2D6 327/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 SLC6A4 132/4885SLC6A3 116/4885CYP2D6 13/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 SLC6A4 132/4885SLC6A3 116/4885CYP2D6 13/4885
US-20210340157-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB SLC6A4 2872/4885SLC6A3 3579/4885CYP2D6 636/4885
US-20240208999-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB SLC6A4 2872/4885SLC6A3 3579/4885CYP2D6 636/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 SLC6A4 134/4885SLC6A3 106/4885CYP2D6 14/4885

“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.