SCHEMBL2879292

SCHEMBL2879292

CCN(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
LTA4H P09960 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9619532 0.96 SIGMAR1 (0.44) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL10733880 0.94 SIGMAR1 (0.43) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL8723759 0.92 SIGMAR1 (0.42) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL1068540 0.87 CYP3A4 (0.39) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL5039661 0.86 HTR1A (0.42) HTR1ADRD1OPRM1DRD3SIGMAR1
SCHEMBL18213635 0.86 HTR1A (0.42) HTR1ADRD1OPRM1DRD3SIGMAR1
SCHEMBL8773594 0.84 SIGMAR1 (0.50) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL5033519 0.82 MEN1 (0.45) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL11814633 0.79 SIGMAR1 (0.44) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL5003760 0.78 KCNH2 (0.41) KCNH2CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
EP-1307239-A4 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2005-01-26 EP claimed
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2004-01-29 US claimed
EP-1307239-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX Nihon Medi-Physics Co., Ltd. (JP) 2003-05-07 EP claimed
EP-0949265-B1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2003-05-07 EP claimed
US-20020048549-A1 Radioactive transition metal nitride heterocomplex DUATTI ADRIANO (IT) 2002-04-25 US claimed
WO-2002009771-A1 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-02-07 WO claimed
US-6270745-B1 FROM A BIS(PHOSPHINOALKYL) SULFIDE OR AMINE NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-08-07 US claimed
EP-0949265-A1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX Nihon Medi-Physics Co., Ltd. (JP) 1999-10-13 EP claimed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed
US-7445765-B2 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2008-11-04 US disclosed
EP-1307239-A4 RADIOPHARMACEUTICAL FOR DIAGNOSTIC IMAGING CONTAINING A TECHNETIUM-99M NITRIDE HETEROCOMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2005-01-26 EP disclosed
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2004-01-29 US disclosed
US-4266085-A Olefin disproportionation process SHELL OIL COMPANY (US) 1981-05-05 US disclosed
US-4179402-A Resin-metal-ligand composition SHELL OIL COMPANY (US) 1979-12-18 US disclosed
US-4179403-A Resin-ligand-metal complex compositions SHELL OIL COMPANY (US) 1979-12-18 US disclosed
EP-0005569-A1 Resin-ligand-transition metal complex composition and processes for using this composition as catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-11-28 EP disclosed
EP-0002557-A2 Resin-ligand transition metal complex composition and processes for using this composition as catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-06-27 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 (2 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-20020048549-A1 Radioactive transition metal nitride heterocomplex SHBG, GNRHR, PRMT5 KCNH2 4244/4885CHRM2 2907/4885HTR1A 2317/4885
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex SHBG, TNNT2, TNNI3 KCNH2 4196/4885CHRM2 3280/4885HTR1A 1032/4885

“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.