SCHEMBL6324186

SCHEMBL6324186

O=C1NCCCN1c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
IDO1 P14902 1/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
F10 P00742 1/20 0.37
THRB P10828 1/20 0.37
CMA1 P23946 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4056377 0.89 GLA (0.41) RXFP1FAAHMGLLPOLBGLA
SCHEMBL14491992 0.83 DDB1 (0.53) F10THRBCMA1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5314439 0.81 DDB1 (0.51) F10THRBCMA1SLC6A2SLC6A4
SCHEMBL4626156 0.81 FAAH (0.38) FAAHMGLLF10THRBCMA1
SCHEMBL1259982 0.81 ALDH1A1 (0.46) MGLLCMA1POLBALDH1A1HPGD
SCHEMBL8286230 0.81 SMN1; SMN2 (0.54) MGLLTHRBCMA1POLBL3MBTL1
SCHEMBL2299228 0.81 NPC1 (0.52) THRBCMA1POLBHTR1ADDB1
SCHEMBL31456513 0.80 ALOX5 (0.50) MGLLPOLBL3MBTL1HTR1ADDB1
SCHEMBL21920283 0.80 ALOX5 (0.50) MGLLPOLBL3MBTL1HTR1ADDB1
SCHEMBL7836366 0.79 ADRB2 (0.46) F10THRBCMA1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648853-A1 TARGETED DEGRADATION OF VAV1 Monte Rosa Therapeutics AG (CH) 2025-11-19 EP disclosed
US-20250205219-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS AG (CH) 2025-06-26 US disclosed
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 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 (3 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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 RXFP1 375/4885IDO1 1289/4885FAAH 1323/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 RXFP1 375/4885IDO1 1289/4885FAAH 1323/4885
US-20250205219-A1 TARGETED DEGRADATION OF VAV1 VAV1, KRAS, CBL RXFP1 4094/4885IDO1 2582/4885FAAH 3651/4885

“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.