Sugi Predict

Sugi Predict / Compounds / SCHEMBL735581

SCHEMBL735581

SCHEMBL735581

[CH2]CCN(C)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ ADH1A P07327 4/20 0.34
▸ ADH1C P00326 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ PHGDH O43175 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ LMNA P02545 2/20 0.31

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
SCHEMBL736403 0.98 HRH3 (0.42) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL11292771 0.98 HRH3 (0.42) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL736322 0.97 — —
SCHEMBL735482 0.90 — —
SCHEMBL738707 0.86 HRH4 (0.37) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL735849 0.84 HRH3 (0.40) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL736390 0.83 HRH4 (0.34) HRH3HRH4KDM4E
SCHEMBL737029 0.79 — —
SCHEMBL737170 0.77 HRH3 (0.45) HRH3HRH4ADH1AADH1CKDM4E
SCHEMBL11296512 0.77 HRH3 (0.45) HRH3HRH4ADH1AADH1CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083855-B Purine derivatives useful as Hsp90 inhibitors 斯隆-凯特林癌症研究院 2020-04-10 — — CN claimed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 — — US claimed
CN-106083855-A Purine derivative as Hsp90 inhibitor 斯隆-凯特林癌症研究院 2016-11-09 — — CN claimed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 — — US claimed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 — — US claimed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 — — EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 — — US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 — — US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 — — US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 — — US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 — — US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 — — US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 — — US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 — — EP disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 — — EP disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 — — US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 — — EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 — — US 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 HRH3 2038/4885HRH4 891/4885ADH1A 1185/4885
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors XDH, HSP90B1, HSP90AA1 HRH3 734/4885HRH4 1135/4885ADH1A 3314/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885HRH4 1/4885ADH1A 740/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885HRH4 1/4885ADH1A 1132/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885HRH4 1/4885ADH1A 1132/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 HRH3 1/4885HRH4 3/4885ADH1A 864/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 HRH3 734/4885HRH4 1135/4885ADH1A 3314/4885

“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.