SCHEMBL1673290

SCHEMBL1673290

C[n+]1ccc(N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.59
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
PLD1 Q13393 1/20 0.53
LTA4H P09960 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL6784241 0.80 CHKA (0.52) ALDH1A1KDM4EUSP2HSD17B10
SCHEMBL5570604 0.79 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8161762 0.79 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7717270 0.79 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL25803365 0.79 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17327846 0.78 CHKA (0.53) ALDH1A1KDM4EUSP2HSD17B10
Water SCHEMBL15212791 0.78 CHKA (0.50) ALDH1A1KDM4EUSP2HSD17B10
Iodide SCHEMBL15212223 0.78 CHKA (0.50) ALDH1A1KDM4EUSP2HSD17B10
SCHEMBL81940 0.74 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6645952 0.74 ADRB1 (1.00) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030096-B2 Water-soluble rhodamine dyes conjugates APPLIED BIOSYSTEMS LLC (US) 2011-10-04 US disclosed
US-20110081688-A1 Water-Soluble Rhodamine Dyes Conjugates Life Technologies Corporation (US) 2011-04-07 US disclosed
US-7795042-B2 Water-soluble rhodamine dye conjugates APPLIED BIOSYSTEMS, LLC (US) 2010-09-14 US disclosed
US-7696354-B2 Cephem compounds having broad antibacterial spectrum SHIONOGI & CO., LTD. (JP) 2010-04-13 US disclosed
US-20090305433-A1 Water-Soluble Rhodamine Dye Conjugates APPLIED BIOSYSTEMS INC. (US) 2009-12-10 US disclosed
US-20090131655-A1 Cephem Compounds Having Broad Antibacterial Spectrum SHIONOGI & CO., LTD. 2009-05-21 US disclosed
US-7504496-B2 Water-soluble rhodamine dye conjugates APPLIED BIOSYSTEMS, LLC 2009-03-17 US disclosed
US-7384928-B2 Broad spectrum cephem compounds SHIONOGI & CO., LTD. (JP) 2008-06-10 US disclosed
US-7384928-B2 Broad spectrum cephem compounds SHIONOGI & CO., LTD. (JP) 2008-06-10 US disclosed
US-20050153355-A1 Water-soluble rhodamine dye conjugates APPLERA CORPORATION (US) 2005-07-14 US disclosed
US-20030055257-A1 Water-soluble rhodamine dye conjugates APPLERA CORPORATION (US) 2003-03-20 US disclosed
US-6372907-B1 LABELLED RHODAMINE DYE-POLYPEPTIDE CONJUGATE, OR SALT THEREOF, COMPRISING RHODAMINE-TYPE PARENT XANTHENE RING SUBSTITUTED AT XANTHENE C-9 CARBON WITH SUBSTITUTED PHENYL RING APPTERA CORPORATION 2002-04-16 US disclosed
EP-1141137-A1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF Applera Corporation (US) 2001-10-10 EP disclosed
WO-2001032783-A1 WATER-SOLUBLE RHODAMINE DYES AND CONJUGATES THEREOF APPLERA CORPORATION (US) 2001-05-10 WO disclosed
US-6191278-B1 COMPRISING A RHODAMINE-TYPE PARENT RING HAVING ATTACHED TO THE XANTHENE C9 CARBON A PHENYL GROUP THAT IS SUBSTITUTED WITH CARBOXY OR SULFONATE GROUP, ONE TO THREE AMINOPYRIDINIUM GROUPS AND AN ALKYL- OR ARYLTHIO, AND OPTIONALLY OTHER GROUPS PE CORPORATION 2001-02-20 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-20050153355-A1 Water-soluble rhodamine dye conjugates SLC43A3, ABCG2, TARBP1 ADRB1 3264/4885HTR3E 3573/4885HTR3B 4011/4885
US-20090131655-A1 Cephem Compounds Having Broad Antibacterial Spectrum ZYX, NAT10, NAA50 ADRB1 3284/4885HTR3E 4629/4885HTR3B 4518/4885
US-20030055257-A1 Water-soluble rhodamine dye conjugates SLC43A3, ABCG2, TARBP1 ADRB1 3264/4885HTR3E 3573/4885HTR3B 4011/4885
US-20090305433-A1 Water-Soluble Rhodamine Dye Conjugates SLC43A3, ABCG2, TARBP1 ADRB1 3264/4885HTR3E 3573/4885HTR3B 4011/4885
US-20110081688-A1 Water-Soluble Rhodamine Dyes Conjugates SLC43A3, ABCG2, TARBP1 ADRB1 3352/4885HTR3E 3614/4885HTR3B 4024/4885

“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.