SCHEMBL894537

SCHEMBL894537

Fc1ccc(N2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.63
HTR3E A5X5Y0 3/20 0.63
HTR3B O95264 3/20 0.63
HTR3A P46098 3/20 0.63
HTR3D Q70Z44 3/20 0.63
HTR3C Q8WXA8 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
HTR7 P34969 3/20 0.61
HTR1A P08908 2/20 0.61
MAOB P27338 1/20 0.59
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
GFER P55789 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57

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
SCHEMBL233425 1.00 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Bromide SCHEMBL10674981 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL1005870 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL714521 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Piperazine SCHEMBL7486912 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL943026 0.94 HTR7 (0.70) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL943219 0.92 HTR7 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5237662 0.92 HTR3A (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL20141332 0.90 HTR3A (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19597620 0.89 LTA4H (0.72) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442473-B1 Pyrimidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-19 EP claimed
EP-0443568-B1 Fused thiophene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 EP claimed
EP-0445811-B1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-14 EP claimed
US-5284661-A 4-Oxo-7-(biphenyl-4-yl)thieno(2,3-b)pyridines as antagonist of angiotensin II; hypertensive agents, cardiovascular disorders and strokes TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-02-08 US claimed
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-0445811-B1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-14 EP disclosed
US-5304565-A Angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5284661-A 4-Oxo-7-(biphenyl-4-yl)thieno(2,3-b)pyridines as antagonist of angiotensin II; hypertensive agents, cardiovascular disorders and strokes TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-02-08 US disclosed
US-5162326-A Antagonists for angeotensin; hypotensive agents; treatment for heart diseases, strokes TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP disclosed
EP-0443568-A1 Fused thiophene derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP disclosed
EP-0442473-A1 Pyrimidinedione derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-21 EP disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 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 (5 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 ADRB1 51/4885HTR3E 1369/4885HTR3B 600/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC ADRB1 4496/4885HTR3E 2806/4885HTR3B 3158/4885

“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.