Sugi Predict

Sugi Predict / Compounds / SCHEMBL1994505

SCHEMBL1994505

SCHEMBL1994505

C1CC[C@@H](CN2CCCC2)NC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ HTR1D P28221 2/20 0.51
▸ HRH1 P35367 2/20 0.51
▸ ADRA1B P35368 2/20 0.51
▸ CACNA2D1 P54289 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ CACNB1 Q02641 1/20 0.47
▸ CHRM5 P08912 2/20 0.46
▸ ADRA2C P18825 2/20 0.46
▸ CYP2D6 P10635 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MLNR O43193 1/20 0.42

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
SCHEMBL1994507 1.00 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL8566386 1.00 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL4382179 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326683 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1232420 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL8563154 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1997768 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL8561237 0.96 HTR1A (0.49) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10264864 0.96 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL16716869 0.93 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 — — EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 — — US disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 — — US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 — — US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 — — US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 — — US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 — — US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 — — EP disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 — — EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 — — US disclosed
EP-0333315-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE Dr. Lo. Zambeletti S.p.A. (IT) 1991-06-12 — — EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 — — US disclosed
US-4994450-A Side effect reduction DR. LO. ZAMBELETTI S.P.A. (IT) 1991-02-19 — — US disclosed
EP-0232612-B1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS Dr. Lo. Zambeletti S.p.A. (IT) 1990-04-04 — — EP disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 — — EP disclosed
EP-0333315-A1 Azacyclic compounds, processes for their preparation and their pharmaceutical use Dr. Lo. Zambeletti S.p.A. (IT) 1989-09-20 — — EP disclosed
US-4826819-A Piperidine analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1989-05-02 — — US disclosed
US-4801585-A Cyclic carboxamide derivatives and their use as analgesics DR.LO.ZAMBELETTI S.P.A. (IT) 1989-01-31 — — US disclosed
EP-0260041-A1 1-Acyl-substituted piperidine derivatives Dr. Lo. Zambeletti S.p.A. (IT) 1988-03-16 — — EP disclosed
EP-0232612-A1 Azacyclic compounds, processes for their preparation, and their use as pharmaceuticals Dr. Lo. Zambeletti S.p.A. (IT) 1987-08-19 — — 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 (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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 HTR1A 3834/4885HTR2A 4555/4885KCNH2 1845/4885
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A HTR1A 1821/4885HTR2A 1166/4885KCNH2 416/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 HTR1A 93/4885HTR2A 113/4885KCNH2 378/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A HTR1A 1821/4885HTR2A 1166/4885KCNH2 416/4885

“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.