SCHEMBL5039665

SCHEMBL5039665

CCC(N)(C(C)P(c1ccccc1)c1ccccc1)C(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.32
SLC6A2 P23975 3/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
KCNN4 O15554 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5033530 0.85 RIPK1 (0.31) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL4371651 0.80 KCNN4 (0.33) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL16192269 0.80 RIPK1 (0.34) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL4367309 0.78 RIPK1 (0.33) SLC6A3KCNN4CYP3A4TDP1
SCHEMBL2879294 0.78 TAAR1 (0.35) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL16192495 0.77 TDP1 (0.38) SLC6A4SLC6A3CYP3A4TDP1
SCHEMBL4374396 0.77 RIPK1 (0.36) KCNN4CYP3A4TDP1
SCHEMBL4370993 0.74 RIPK1 (0.31)
SCHEMBL4368006 0.74 RIPK1 (0.35) CYP2D6CYP1A2CYP3A4TDP1
SCHEMBL4370119 0.73 RIPK1 (0.32) SIGMAR1KCNN4CYP3A4TDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 1270/4885MAOA 2894/4885
US-20040018147-A1 Radiopharmaceutical for diagnostic imaging containing a technetium-99m nitride heterocomplex SHBG, TNNT2, TNNI3 TAAR1 1529/4885SLC6A2 132/4885MAOA 1818/4885

“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.