SCHEMBL2879294

SCHEMBL2879294

CC(P(c1ccccc1)c1ccccc1)C(C)(N)C(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.35
SLC6A2 P23975 3/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNN4 O15554 1/20 0.32
RIPK1 Q13546 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4379411 0.82 TDP1 (0.38) CYP3A4TDP1RIPK1SLC6A4SLC6A3
SCHEMBL16192495 0.82 TDP1 (0.38) CYP3A4TDP1RIPK1SLC6A4SLC6A3
SCHEMBL4368006 0.78 RIPK1 (0.35) CYP3A4TDP1CYP1A2CYP2D6RIPK1
SCHEMBL5039665 0.78 TAAR1 (0.32) TAAR1SLC6A2CYP3A4TDP1CYP1A2
SCHEMBL27309939 0.77 CYP3A4 (0.33) CYP3A4TDP1RIPK1
SCHEMBL4380610 0.76 RIPK1 (0.36) TAAR1CYP3A4TDP1CYP1A2CYP2D6
SCHEMBL4367309 0.75 RIPK1 (0.33) CYP3A4TDP1KCNN4RIPK1SLC6A3
SCHEMBL5034939 0.75 CYP1A2 (0.41) CYP1A2CYP2D6LMNAHIF1AKDM4E
SCHEMBL5033530 0.75 RIPK1 (0.31) TAAR1SLC6A2CYP1A2CYP2D6RIPK1
SCHEMBL28304301 0.74 CYP3A4 (0.35) CYP3A4TDP1ESR1ESR2

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 18 patents. 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
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-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
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
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex NIHON MEDI-PHYSICS CO., LTD. (JP) 2004-01-29 US disclosed
EP-0949265-B1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX NIHON MEDIPHYSICS CO LTD (JP) 2003-05-07 EP disclosed
US-20020048549-A1 Radioactive transition metal nitride heterocomplex DUATTI ADRIANO (IT) 2002-04-25 US disclosed
US-6270745-B1 FROM A BIS(PHOSPHINOALKYL) SULFIDE OR AMINE NIHON MEDI-PHYSICS CO., LTD. (JP) 2001-08-07 US disclosed
EP-0949265-A1 RADIOACTIVE TRANSITION METAL NITRIDE HETERO-COMPLEX Nihon Medi-Physics Co., Ltd. (JP) 1999-10-13 EP disclosed
EP-0005569-B1 RESIN-LIGAND-TRANSITION METAL COMPLEX COMPOSITION AND PROCESSES FOR USING THIS COMPOSITION AS CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-11-04 EP disclosed
EP-0002557-B1 RESIN-LIGAND TRANSITION METAL COMPLEX COMPOSITION AND PROCESSES FOR USING THIS COMPOSITION AS CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-09-23 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 TAAR1 766/4885SLC6A2 1270/4885CYP3A4 2456/4885
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex SHBG, TNNT2, TNNI3 TAAR1 1529/4885SLC6A2 132/4885CYP3A4 789/4885

“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.