Sugi Predict

Sugi Predict / Compounds / SCHEMBL2884739

SCHEMBL2884739

SCHEMBL2884739

COc1ccc(N2CCNC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ GAA P10253 3/20 0.47
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TNF P01375 1/20 0.43
▸ ALDH1A1 P00352 2/20 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
SCHEMBL2302983 0.87 GAA (0.61) GAARAB9ANPC1PKMSMN1; SMN2
SCHEMBL2234141 0.87 GAA (0.61) GAARAB9ANPC1PKMSMN1; SMN2
SCHEMBL2301155 0.83 KMT2A (0.61) GAAPKMMAPTKMT2AMEN1
SCHEMBL5604528 0.81 ADRB1 (0.55) ADRB1NPC1MGLLMAPT
SCHEMBL2302728 0.80 CYP1A1 (0.58) ADRB1GAASMN1; SMN2LMNAHTT
SCHEMBL2883318 0.79 ADRB1 (0.47) ADRB1POLBRAB9ANPC1PKM
SCHEMBL9674038 0.78 LMNA (0.49) GAAALDH1A1LMNA
SCHEMBL20956958 0.78 LIPE (0.49) POLB
SCHEMBL1665546 0.78 ADRB1 (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL19018148 0.78 HTR3E (0.55) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440205-A Biboric acid diol ester, preparation method thereof, intermediate thereof and application thereof 中国科学院上海有机化学研究所 2020-07-24 — — CN disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — 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
EP-2145622-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors Glaxo Group Limited (GB) 2010-01-20 — — EP disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 — — US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 — — US disclosed
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 — — EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — WO disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 — — WO disclosed
US-5990139-A 2,5-DIOXO-4-(PYRIDYL OR PHENYL-(N-HETEROCYCLE(C4N,C3N2))-ALKYLENOXY-(1,4-PHENYLENE) -)THIADIAZOLIDINES; ANTIDIABETIC AND -LIPEMIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 — — US disclosed
US-4107304-A Oxo-imidazolidine substituted cephalosporins and antibacterial compositions and methods of combatting bacteria employing them BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 — — US disclosed
US-4093722-A ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DT) 1978-06-06 — — US disclosed
US-4086340-A ANTIBIOTIC; ANIMAL GROWTH PROMOTER BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 — — US disclosed
US-4031229-A SUBSTITUTED IMIDAZOLIDINONE-PENICILLANIC ACIDS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 — — 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 (6 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 HTR3E 48/4885HTR3B 17/4885ADRB1 61/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 HTR3E 1684/4885HTR3B 1355/4885ADRB1 311/4885
US-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A HTR3E 15/4885HTR3B 5/4885ADRB1 48/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR3E 22/4885HTR3B 8/4885ADRB1 68/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HTR3E 4289/4885HTR3B 4161/4885ADRB1 1870/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F HTR3E 30/4885HTR3B 11/4885ADRB1 73/4885

“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.