SCHEMBL438633

SCHEMBL438633

C[C@H](N)Cc1c(F)c(F)cc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL439681 1.00 DPP4 (0.44) DPP4SLC6A2TAAR1MAOASLC6A4
SCHEMBL805983 0.88 DPP4 (0.35) DPP4
SCHEMBL16437790 0.88 DPP4 (0.39) DPP4
SCHEMBL14478243 0.87 DPP4 (0.41) DPP4SLC6A2TAAR1MAOASLC6A4
SCHEMBL13173829 0.81 DPP4 (0.38) DPP4
SCHEMBL14478269 0.80 TAAR1 (0.37) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL14478259 0.80 TAAR1 (0.37) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL14478251 0.77 SLC6A2 (0.46) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL25946401 0.77 DPP4 (0.39) DPP4SLC6A2TAAR1MAOASLC6A4
SCHEMBL14478295 0.77 SLC6A2 (0.46) SLC6A2TAAR1MAOASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12042509-B2 Prekallikrein-modulating compositions and methods of use thereof ADARX PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
EP-4400171-A2 USE OF VALBENAZINE FOR TREATING SCHIZOPHRENIA OR SCHIZOAFFECTIVE DISORDER NEUROCRINE BIOSCIENCES, INC. (US) 2024-07-17 EP disclosed
US-20240228434-A1 PRODRUGS OF KV7 CHANNEL OPENERS CHATHAM BIOPHARMA CONSULTING, LLC 2024-07-11 US disclosed
US-20240208896-A1 PRODRUGS OF KV7 CHANNEL OPENERS CHATHAM BIOPHARMA CONSULTING, LLC 2024-06-27 US disclosed
US-20240207247-A1 METHODS FOR THE COMBINED ADMINISTRATION OF DEUTETRABENAZINE AND A CYP2D6 INHIBITOR NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea SYMBERIX, INC. (US) 2024-06-25 US disclosed
US-20240197714-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES, INC. 2024-06-20 US disclosed
EP-4384268-A1 SMALL MOLECULE UREA DERIVATIVES AS STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2024-06-19 EP disclosed
EP-4384169-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE Arena Pharmaceuticals, Inc. (US) 2024-06-19 EP disclosed
EP-4384267-A1 SMALL MOLECULE STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2024-06-19 EP disclosed
US-4171431-A Nucleosides and process THE UPJOHN COMPANY (US) 1979-10-16 US disclosed
US-4161610-A Process for preparing vinyl esters UNION OIL COMPANY OF CALIFORNIA (US) 1979-07-17 US disclosed
US-4113858-A POLYPEPTIDES, MULTIPLE SCLEROSIS ST. LUKE'S HOSPITAL (US) 1978-09-12 US disclosed
US-RE29558-E Lincomycin analogs THE UPJOHN COMPANY (US) 1978-02-28 US disclosed
US-4057575-A GROUP 8 METAL AND REDOX AGENT CATALYST UNION OIL COMPANY OF CALIFORNIA (US) 1977-11-08 US disclosed
US-4038478-A ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1977-07-26 US disclosed
US-4031304-A Process for preparing lincomycin derivatives THE UPJOHN COMPANY (US) 1977-06-21 US disclosed
US-4004029-A BENZAMIDES THE UPJOHN COMPANY (US) 1977-01-18 US disclosed
US-3996205-A BACTERICIDES THE UPJOHN COMPANY (US) 1976-12-07 US disclosed
US-3984393-A BACTERICIDES THE UPJOHN COMPANY (US) 1976-10-05 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 (6 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-20240207247-A1 METHODS FOR THE COMBINED ADMINISTRATION OF DEUTETRABENAZINE AND A CYP2D6 INHIBITOR CYP2D6, CYP2B6, SLC18A2 DPP4 596/4885SLC6A2 4/4885TAAR1 917/4885
US-12017994-B2 Compounds, compositions, and methods for selectively inhibiting β-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea GUSB, SI, ENGASE DPP4 81/4885SLC6A2 638/4885TAAR1 4682/4885
US-20240208896-A1 PRODRUGS OF KV7 CHANNEL OPENERS KCNA7, KCNB1, KCNB2 DPP4 2178/4885SLC6A2 1018/4885TAAR1 995/4885
US-20240228434-A1 PRODRUGS OF KV7 CHANNEL OPENERS KCNA7, KCNB1, KCNB2 DPP4 2178/4885SLC6A2 1018/4885TAAR1 995/4885
US-20240197714-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS SLC18A2, SLC6A2, SLC18A3 DPP4 1211/4885SLC6A2 2/4885TAAR1 450/4885
US-12042509-B2 Prekallikrein-modulating compositions and methods of use thereof KLKB1, PRKG1, PRKCH DPP4 2992/4885SLC6A2 3115/4885TAAR1 4728/4885

“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.